data_[Pm8Nd8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.7625]
_cell_length_b [6.8941]
_cell_length_c [13.4107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [PmNdO]
_chemical_formula_sum '[Pm8 Nd8 O8]'
_cell_volume [625.2232]
_cell_formula_units_Z [8]
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
[
  Pm  Pm0  8  0.0000  0.0000  0.2323  1
  Nd  Nd1  8  0.0000  0.2444  0.5000  1
  O  O2  8  0.2396  0.0000  0.0000  1
]