data_[Nd8Te4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9425]
_cell_length_b [3.9865]
_cell_length_c [7.0954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Te2N]
_chemical_formula_sum '[Nd8 Te4 N2]'
_cell_volume [405.1520]
_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
[
  Nd  Nd0  4  0.0964  0.5000  0.2413  1
  Nd  Nd1  4  0.1017  0.0000  0.8099  1
  Te  Te2  4  0.2398  0.5000  0.7309  1
  N  N3  2  0.0000  0.0000  0.0000  1
]