[CIF]
data_CaCuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96924250
_cell_length_b   4.41341062
_cell_length_c   5.42930127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuBr2
_chemical_formula_sum   'Ca1 Cu1 Br2'
_cell_volume   95.10994045
_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  1.98462125  2.20670531  0.00000000  1
  Br  Br1  1  1.98462125  0.00000000  2.71465064  1
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.00000000  2.20670531  2.71465064  1
[/CIF]
