beta-Sn.cif

# beta-Sn (white tin), body-centered tetragonal, space group I4_1/amd (No. 141)
# Constructed by the authors from the published lattice parameters and atomic
# positions corresponding to ICSD Collection Code 40037 (a = 5.831 A, c = 3.182 A).
# This file is NOT a database export; it contains only published factual data.
data_image0
_chemical_formula_structural       Sn4
_chemical_formula_sum              "Sn4"
_cell_length_a       5.831
_cell_length_b       5.831
_cell_length_c       3.182
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Sn  Sn1       1.0  0.0  0.0  0.0  1.0000
  Sn  Sn2       1.0  0.5  0.5  0.5  1.0000
  Sn  Sn3       1.0  0.0  0.5  0.25  1.0000
  Sn  Sn4       1.0  0.5  0.0  0.75  1.0000