data_[K4Nd4Mg4Te12]
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
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6008]
_cell_length_b [15.9853]
_cell_length_c [12.1554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KNdMgTe3]
_chemical_formula_sum '[K4 Nd4 Mg4 Te12]'
_cell_volume [893.9732]
_cell_formula_units_Z [4]
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  0.2469  0.2500  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.0000  0.4688  0.7500  1.0
  Te  Te3  8  0.0000  0.3696  0.5624  1.0
  Te  Te4  4  0.0000  0.0741  0.7500  1.0
]