data_[Cu2Ag6As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.5484]
_cell_length_b [5.7141]
_cell_length_c [19.2265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CuAg3As2]
_chemical_formula_sum '[Cu2 Ag6 As4]'
_cell_volume [609.5609]
_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  0.0000  0.5050  1
  Ag  Ag1  4  0.2500  0.2500  0.6084  1
  Ag  Ag2  2  0.0000  0.5000  0.5013  1
  As  As3  4  0.0000  0.2142  0.3885  1
]