[CIF]
data_CaGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57221849
_cell_length_b   6.57221849
_cell_length_c   6.57221849
_cell_angle_alpha   143.71557219
_cell_angle_beta   143.71557219
_cell_angle_gamma   52.25282407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Br
_chemical_formula_sum   'Ca1 Ga2 Br1'
_cell_volume   98.84611735
_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  5.90069995  1
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1
  Ga  Ga2  1  2.04643543  -0.00000000  2.95034998  1
  Ga  Ga3  1  -0.00000000  2.04643543  2.95034998  1
[/CIF]
