data_[Nd10Te8P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9551]
_cell_length_b [9.9551]
_cell_length_c [6.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nd5Te4P]
_chemical_formula_sum '[Nd10 Te8 P2]'
_cell_volume [619.9881]
_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  8  0.0945  0.2674  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Te  Te2  8  0.0910  0.3070  0.5000  1
  P  P3  2  0.0000  0.0000  0.0000  1
]