data_[K6Ca2Sb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7763]
_cell_length_b [13.4848]
_cell_length_c [8.7511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ca(SbTe3)2]
_chemical_formula_sum '[K6 Ca2 Sb4 Te12]'
_cell_volume [876.1867]
_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
[
  K  K0  4  0.0000  0.1660  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3330  0.0000  1.0
  Te  Te4  8  0.2404  0.1717  0.2060  1.0
  Te  Te5  4  0.2260  0.5000  0.2065  1.0
]