data_[Cu2Sb2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.1151]
_cell_length_b [5.1982]
_cell_length_c [9.6225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CuSbTe2]
_chemical_formula_sum '[Cu2 Sb2 Te4]'
_cell_volume [205.8375]
_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  0.4942  1
  Sb  Sb1  2  0.0000  0.5000  0.3152  1
  Te  Te2  2  0.0000  0.0000  0.0203  1
  Te  Te3  2  0.0000  0.5000  0.6703  1
]