data_[Pr4Nd2Y6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1132]
_cell_length_b [12.3175]
_cell_length_c [7.1071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Nd(YP2)3]
_chemical_formula_sum '[Pr4 Nd2 Y6 P12]'
_cell_volume [587.2060]
_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
[
  Pr  Pr0  4  0.0000  0.3334  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Y  Y2  4  0.0000  0.1669  0.5000  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  P  P4  8  0.2472  0.3339  0.7397  1.0
  P  P5  4  0.2453  0.0000  0.7396  1.0
]