data_[Ca2Cu2Sb2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2_1/m]
_cell_length_a [9.0831]
_cell_length_b [4.2927]
_cell_length_c [9.3890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaCuSbTe3]
_chemical_formula_sum '[Ca2 Cu2 Sb2 Te6]'
_cell_volume [360.1723]
_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
[
  Ca  Ca0  2  0.1600  0.2500  0.2540  1.0
  Cu  Cu1  2  0.0651  0.2500  0.5690  1.0
  Sb  Sb2  2  0.3397  0.7500  0.8495  1.0
  Te  Te3  2  0.1061  0.2500  0.8745  1.0
  Te  Te4  2  0.2290  0.7500  0.5130  1.0
  Te  Te5  2  0.4176  0.7500  0.1737  1.0
]