data_[Cu4Ag2Te2Se2]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6543]
_cell_length_b [4.0612]
_cell_length_c [7.9171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu2AgTeSe]
_chemical_formula_sum '[Cu4 Ag2 Te2 Se2]'
_cell_volume [213.9509]
_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  0.4856  0.7500  0.3844  1
  Cu  Cu1  2  0.4945  0.2500  0.1276  1
  Ag  Ag2  2  0.1973  0.7500  0.1279  1
  Te  Te3  2  0.2360  0.2500  0.8537  1
  Se  Se4  2  0.2665  0.2500  0.3839  1
]