data_[Ce10Nd2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1355]
_cell_length_b [12.3568]
_cell_length_c [7.1340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5NdP6]
_chemical_formula_sum '[Ce10 Nd2 P12]'
_cell_volume [593.0549]
_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
[
  Ce  Ce0  4  0.0000  0.1659  0.5000  1.0
  Ce  Ce1  4  0.0000  0.3331  0.0000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  P  P4  8  0.2472  0.3314  0.7477  1.0
  P  P5  4  0.2467  0.5000  0.2522  1.0
]