[CIF]
data_CaAuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90712821
_cell_length_b   3.90712821
_cell_length_c   7.51179096
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.84797913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAuBr2
_chemical_formula_sum   'Ca1 Au1 Br2'
_cell_volume   114.41386322
_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
  Au  Au0  1  2.66844353  0.00000000  1.90827171  1
  Br  Br1  1  0.00000000  0.00000000  0.72389447  1
  Br  Br2  1  2.66844353  0.00000000  5.08386226  1
  Ca  Ca3  1  0.00000000  0.00000000  3.55165807  1
[/CIF]
