data_[K1Pr2Nd1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9849]
_cell_length_b [4.5474]
_cell_length_c [7.9949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KPr2NdTe4]
_chemical_formula_sum '[K1 Pr2 Nd1 Te4]'
_cell_volume [275.0857]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  1  0.5000  0.0000  0.5000  1.0
  Pr  Pr2  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  2  0.2514  0.0000  0.7452  1.0
  Te  Te5  2  0.2596  0.5000  0.2614  1.0
]