data_[Ga2Cu4Ag2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0533]
_cell_length_b [6.7972]
_cell_length_c [6.7238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GaCu2AgSe4]
_chemical_formula_sum '[Ga2 Cu4 Ag2 Se8]'
_cell_volume [368.0590]
_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
[
  Ga  Ga0  2  0.0000  0.1731  0.0006  1.0
  Cu  Cu1  4  0.2486  0.3343  0.5019  1.0
  Ag  Ag2  2  0.0000  0.8385  0.5106  1.0
  Se  Se3  4  0.2407  0.3422  0.8597  1.0
  Se  Se4  2  0.0000  0.1937  0.3674  1.0
  Se  Se5  2  0.0000  0.8259  0.8980  1.0
]