data_[K8Nd4Mn4Te16]
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
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.9055]
_cell_length_b [9.3824]
_cell_length_c [13.4034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2NdMnTe4]
_chemical_formula_sum '[K8 Nd4 Mn4 Te16]'
_cell_volume [1119.9286]
_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  0.0000  0.5000  1
  K  K1  4  0.2500  0.2500  0.7500  1
  Nd  Nd2  4  0.0000  0.0000  0.0000  1
  Mn  Mn3  4  0.2500  0.2500  0.2500  1
  Te  Te4  8  0.0000  0.0626  0.2421  1
  Te  Te5  8  0.2341  0.2500  0.0083  1
]