data_[K2Nd4Sm6Te12]
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
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8281]
_cell_length_b [4.4699]
_cell_length_c [9.1631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNd2(SmTe2)3]
_chemical_formula_sum '[K2 Nd4 Sm6 Te12]'
_cell_volume [787.1424]
_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
  Nd  Nd1  4  0.1713  0.0000  0.3447  1.0
  Sm  Sm2  4  0.1640  0.0000  0.8247  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0020  0.0000  0.2639  1.0
  Te  Te5  4  0.1637  0.5000  0.5862  1.0
  Te  Te6  4  0.1724  0.5000  0.0830  1.0
]