data_[Pm8Nd12Sm2]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7022]
_cell_length_b [6.7022]
_cell_length_c [17.5461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pm4Nd6Sm]
_chemical_formula_sum '[Pm8 Nd12 Sm2]'
_cell_volume [788.1635]
_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  8  0.1889  0.1889  0.1776  1
  Nd  Nd1  8  0.1783  0.1783  0.3706  1
  Nd  Nd2  4  0.0000  0.5000  0.0000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
]