data_[Cu2Ag2Te2]
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
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.3435]
_cell_length_b [4.4411]
_cell_length_c [5.6449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CuAgTe]
_chemical_formula_sum '[Cu2 Ag2 Te2]'
_cell_volume [133.3557]
_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  0.0869  0.0901  0.5883  1.0
  Ag  Ag1  2  0.1598  0.2039  0.0912  1.0
  Te  Te2  2  0.3147  0.5902  0.7281  1.0
]