data_[Cu2Ag2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.1562]
_cell_length_b [8.5968]
_cell_length_c [6.0462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CuAgBr2]
_chemical_formula_sum '[Cu2 Ag2 Br4]'
_cell_volume [216.0325]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  2  0.0000  0.3851  0.8558  1
  Ag  Ag1  2  0.0000  0.8606  0.8717  1
  Br  Br2  2  0.0000  0.1430  0.0755  1
  Br  Br3  2  0.0000  0.6031  0.1306  1
]