data_[Cu1Ag4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7710]
_cell_length_b [6.1547]
_cell_length_c [7.2681]
_cell_angle_alpha [75.8313]
_cell_angle_beta [75.0452]
_cell_angle_gamma [77.7051]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu(AgSe)4]
_chemical_formula_sum '[Cu1 Ag4 Se4]'
_cell_volume [238.7103]
_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
[
  Cu  Cu0  1  0.8999  0.0730  0.9898  1
  Ag  Ag1  1  0.2298  0.9664  0.3848  1
  Ag  Ag2  1  0.4111  0.5736  0.9915  1
  Ag  Ag3  1  0.5157  0.1723  0.7539  1
  Ag  Ag4  1  0.7968  0.4046  0.4068  1
  Se  Se5  1  0.0324  0.7488  0.2221  1
  Se  Se6  1  0.2282  0.9196  0.7568  1
  Se  Se7  1  0.5754  0.2203  0.2307  1
  Se  Se8  1  0.8108  0.4214  0.7636  1
]