data_[Nd12P8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5062]
_cell_length_b [5.8015]
_cell_length_c [7.9457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3P2O]
_chemical_formula_sum '[Nd12 P8 O4]'
_cell_volume [546.9181]
_cell_formula_units_Z [4]
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  0.1550  0.0008  0.5779  1.0
  Nd  Nd1  4  0.0000  0.4571  0.2500  1.0
  P  P2  8  0.1718  0.4990  0.0860  1.0
  O  O3  4  0.0000  0.0481  0.2500  1.0
]