[CIF]
data_CaSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81414968
_cell_length_b   3.73493824
_cell_length_c   8.77604661
_cell_angle_alpha   90.00000000
_cell_angle_beta   99.00625722
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Br
_chemical_formula_sum   'Ca1 Sn2 Br1'
_cell_volume   123.47882569
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  Br  Br0  1  3.06244987  1.86746912  3.72086875  1
  Ca  Ca1  1  1.17553123  0.00000000  2.41088746  1
  Sn  Sn2  1  -1.01987410  1.86746912  8.58162810  1
  Sn  Sn3  1  0.97563539  0.00000000  6.95623801  1
[/CIF]
