data_[K6Nd2Bi4Te12]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9973]
_cell_length_b [13.8509]
_cell_length_c [8.7084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Nd(BiTe3)2]
_chemical_formula_sum '[K6 Nd2 Bi4 Te12]'
_cell_volume [918.3345]
_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  0.1677  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3334  0.0000  1.0
  Te  Te4  8  0.2387  0.1683  0.2118  1.0
  Te  Te5  4  0.2345  0.5000  0.2125  1.0
]