data_[K2Ca6La4Te12]
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
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0052]
_cell_length_b [4.5736]
_cell_length_c [9.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCa3(LaTe3)2]
_chemical_formula_sum '[K2 Ca6 La4 Te12]'
_cell_volume [828.8579]
_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  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  4  0.1627  0.0000  0.8344  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  La  La3  4  0.1646  0.0000  0.3320  1.0
  Te  Te4  4  0.0006  0.0000  0.2687  1.0
  Te  Te5  4  0.1672  0.5000  0.5874  1.0
  Te  Te6  4  0.1745  0.5000  0.0866  1.0
]