data_[Cu6Te2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.5045]
_cell_length_b [18.8604]
_cell_length_c [4.6676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cu3TeAs]
_chemical_formula_sum '[Cu6 Te2 As2]'
_cell_volume [547.1382]
_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  0.0661  0.4568  0.4094  1
  Cu  Cu1  2  0.4288  0.4998  0.2992  1
  Cu  Cu2  2  0.7722  0.4508  0.6862  1
  Te  Te3  2  0.1792  0.3977  0.9564  1
  As  As4  2  0.6859  0.4118  0.1488  1
]