data_[Nd8Te2P6]
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 [P6_3/mmc]
_cell_length_a [4.2243]
_cell_length_b [4.2243]
_cell_length_c [28.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Nd4TeP3]
_chemical_formula_sum '[Nd8 Te2 P6]'
_cell_volume [436.1458]
_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  0.1731  1
  Nd  Nd1  4  0.3333  0.6667  0.4424  1
  Te  Te2  2  0.3333  0.6667  0.2500  1
  P  P3  4  0.3333  0.6667  0.8802  1
  P  P4  2  0.0000  0.0000  0.0000  1
]