data_[Pm6Nd2Y8]
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 [Pmn2_1]
_cell_length_a [11.5795]
_cell_length_b [7.3586]
_cell_length_c [6.3507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pm3NdY4]
_chemical_formula_sum '[Pm6 Nd2 Y8]'
_cell_volume [541.1331]
_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
[
  Pm  Pm0  4  0.2499  0.6262  0.9797  1
  Pm  Pm1  2  0.0000  0.6257  0.6489  1
  Nd  Nd2  2  0.0000  0.3744  0.1494  1
  Y  Y3  4  0.2496  0.8766  0.4821  1
  Y  Y4  2  0.0000  0.1230  0.6467  1
  Y  Y5  2  0.0000  0.8770  0.1466  1
]