data_[Pm6Nd2Er2]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5919]
_cell_length_b [6.6028]
_cell_length_c [9.7619]
_cell_angle_alpha [70.3366]
_cell_angle_beta [89.5719]
_cell_angle_gamma [60.3550]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pm3NdEr]
_chemical_formula_sum '[Pm6 Nd2 Er2]'
_cell_volume [341.1117]
_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  2  0.0612  0.2907  0.1878  1
  Pm  Pm1  2  0.1579  0.6905  0.4585  1
  Pm  Pm2  2  0.3517  0.1306  0.8128  1
  Nd  Nd3  1  0.0000  0.0000  0.0000  1
  Nd  Nd4  1  0.5000  0.0000  0.5000  1
  Er  Er5  2  0.4834  0.4548  0.1843  1
]