# CIF generated by HEAS from Alexandria entry agm005803479
data_agm005803479
_cell_length_a     9.35555
_cell_length_b     9.35555
_cell_length_c     9.35555
_cell_angle_alpha  107.09939
_cell_angle_beta   107.09940
_cell_angle_gamma  107.09939
_cell_volume       680.09420
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ca1 Ca 0.97136 0.65934 0.88091 1.00000
  Ca2 Ca 0.34066 0.11909 0.02864 1.00000
  Ca3 Ca 0.11909 0.02864 0.34066 1.00000
  Ca4 Ca 0.50000 0.50000 0.50000 1.00000
  Ca5 Ca 0.88091 0.97136 0.65934 1.00000
  Ca6 Ca 0.65934 0.88091 0.97136 1.00000
  Ca7 Ca 0.02864 0.34066 0.11909 1.00000
  S1 S 0.00000 0.00000 0.00000 1.00000
  Br1 Br 0.92737 0.31391 0.78625 1.00000
  Br2 Br 0.68609 0.21375 0.07263 1.00000
  Br3 Br 0.45222 0.15751 0.37076 1.00000
  Br4 Br 0.84249 0.62924 0.54778 1.00000
  Br5 Br 0.21375 0.07263 0.68609 1.00000
  Br6 Br 0.62924 0.54778 0.84249 1.00000
  Br7 Br 0.37076 0.45222 0.15751 1.00000
  Br8 Br 0.78625 0.92737 0.31391 1.00000
  Br9 Br 0.15751 0.37076 0.45222 1.00000
  Br10 Br 0.54778 0.84249 0.62924 1.00000
  Br11 Br 0.31391 0.78625 0.92737 1.00000
  Br12 Br 0.07263 0.68609 0.21375 1.00000