data_[K6Nd4Zr2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7537]
_cell_length_b [13.4370]
_cell_length_c [8.7095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Nd2ZrTe6]
_chemical_formula_sum '[K6 Nd4 Zr2 Te12]'
_cell_volume [866.0204]
_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  0.1725  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  4  0.0000  0.3341  0.0000  1.0
  Zr  Zr3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2274  0.8427  0.2108  1.0
  Te  Te5  4  0.2426  0.0000  0.7876  1.0
]