data_[K4Ta2Cr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0672]
_cell_length_b [12.1732]
_cell_length_c [8.6898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ta(CrTe3)2]
_chemical_formula_sum '[K4 Ta2 Cr4 Te12]'
_cell_volume [721.1246]
_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  0.1644  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3318  0.5000  1.0
  Te  Te3  8  0.2305  0.1681  0.6833  1.0
  Te  Te4  4  0.2185  0.5000  0.6828  1.0
]