data_[Nd6Cu8P8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9907]
_cell_length_b [3.9907]
_cell_length_c [26.5416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd3Cu4(P2O)2]
_chemical_formula_sum '[Nd6 Cu8 P8 O4]'
_cell_volume [422.6964]
_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  0.2952  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  8  0.0000  0.5000  0.0941  1.0
  P  P3  4  0.0000  0.0000  0.1407  1.0
  P  P4  4  0.0000  0.0000  0.4580  1.0
  O  O5  4  0.0000  0.5000  0.2500  1.0
]