data_[Pm4Nd3Y5]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2812]
_cell_length_b [7.2448]
_cell_length_c [8.8762]
_cell_angle_alpha [90.0900]
_cell_angle_beta [90.1858]
_cell_angle_gamma [90.1278]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pm4Nd3Y5]
_chemical_formula_sum '[Pm4 Nd3 Y5]'
_cell_volume [403.9150]
_cell_formula_units_Z [1]
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  2  0.1686  0.9999  0.1667  1
  Pm  Pm1  2  0.3324  0.2496  0.8320  1
  Nd  Nd2  2  0.3328  0.7498  0.8320  1
  Nd  Nd3  1  0.5000  0.5000  0.5000  1
  Y  Y4  2  0.0004  0.2505  0.5001  1
  Y  Y5  2  0.1669  0.5000  0.1682  1
  Y  Y6  1  0.5000  0.0000  0.5000  1
]