data_[K2Nd2Mn2Te6]
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 [P2_1/m]
_cell_length_a [9.8034]
_cell_length_b [4.5597]
_cell_length_c [10.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNdMnTe3]
_chemical_formula_sum '[K2 Nd2 Mn2 Te6]'
_cell_volume [450.2666]
_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  0.2024  0.2500  0.2334  1.0
  Nd  Nd1  2  0.3294  0.7500  0.8582  1.0
  Mn  Mn2  2  0.0846  0.2500  0.6041  1.0
  Te  Te3  2  0.1010  0.2500  0.8624  1.0
  Te  Te4  2  0.2073  0.7500  0.5296  1.0
  Te  Te5  2  0.4566  0.7500  0.1693  1.0
]