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/mmm]
_cell_length_a [4.3933]
_cell_length_b [4.3933]
_cell_length_c [32.0826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd5Te4P]
_chemical_formula_sum '[Nd10 Te8 P2]'
_cell_volume [619.2237]
_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  0.0000  0.0000  0.0865  1
  Nd  Nd1  4  0.0000  0.0000  0.2912  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Te  Te3  4  0.0000  0.0000  0.1916  1
  Te  Te4  4  0.0000  0.0000  0.3977  1
  P  P5  2  0.0000  0.0000  0.0000  1
]