data_[K2Ca6Nd4Te12]
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
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8532]
_cell_length_b [4.5297]
_cell_length_c [9.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCa3(NdTe3)2]
_chemical_formula_sum '[K2 Ca6 Nd4 Te12]'
_cell_volume [810.5819]
_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  0.1621  0.0000  0.8355  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.1650  0.0000  0.3341  1.0
  Te  Te4  4  0.0020  0.0000  0.2685  1.0
  Te  Te5  4  0.1680  0.5000  0.5862  1.0
  Te  Te6  4  0.1746  0.5000  0.0911  1.0
]