data_[Nd8Pt4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8992]
_cell_length_b [7.1051]
_cell_length_c [7.8470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4Pt2O]
_chemical_formula_sum '[Nd8 Pt4 O2]'
_cell_volume [368.8679]
_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  0.4931  0.5068  0.2479  1.0
  Nd  Nd1  2  0.0504  0.7500  0.3774  1.0
  Nd  Nd2  2  0.0640  0.7500  0.8987  1.0
  Pt  Pt3  2  0.2693  0.2500  0.4372  1.0
  Pt  Pt4  2  0.2774  0.2500  0.9503  1.0
  O  O5  2  0.2605  0.7500  0.1941  1.0
]