[CIF]
data_CrCu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65076348
_cell_length_b   5.65076348
_cell_length_c   5.65076348
_cell_angle_alpha   142.01284888
_cell_angle_beta   142.01284888
_cell_angle_gamma   54.80944548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Br
_chemical_formula_sum   'Cr1 Cu2 Br1'
_cell_volume   67.87134017
_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  0.00000000  -0.00000000  5.01662039  1
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu2  1  1.83910954  -0.00000000  2.50831020  1
  Cu  Cu3  1  -0.00000000  1.83910954  2.50831020  1
[/CIF]
