data_[Pm8Sm8Y20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.0541]
_cell_length_b [11.8644]
_cell_length_c [6.8333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pm2Sm2Y5]
_chemical_formula_sum '[Pm8 Sm8 Y20]'
_cell_volume [1220.4855]
_cell_formula_units_Z [4]
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  0.1273  0.0032  0.0592  1
  Sm  Sm1  4  0.0000  0.0000  0.5099  1
  Sm  Sm2  4  0.2500  0.5103  0.1110  1
  Y  Y3  8  0.0527  0.2434  0.7049  1
  Y  Y4  8  0.1429  0.7350  0.8905  1
  Y  Y5  4  0.2500  0.2476  0.9057  1
]