data_[Nd12Te2P10]
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 [C2/m]
_cell_length_a [7.3304]
_cell_length_b [12.6694]
_cell_length_c [7.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TeP5]
_chemical_formula_sum '[Nd12 Te2 P10]'
_cell_volume [640.0277]
_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  0.2381  0.3246  0.7415  1
  Nd  Nd1  4  0.2364  0.5000  0.2595  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  P  P3  4  0.0000  0.1625  0.5000  1
  P  P4  4  0.0000  0.3328  0.0000  1
  P  P5  2  0.0000  0.5000  0.5000  1
]