data_[La6Pm2Y16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.8494]
_cell_length_b [8.8494]
_cell_length_c [11.4134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La3PmY8]
_chemical_formula_sum '[La6 Pm2 Y16]'
_cell_volume [893.7941]
_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
[
  La  La0  4  0.0000  0.5000  0.2500  1
  La  La1  2  0.0000  0.0000  0.5000  1
  Pm  Pm2  2  0.0000  0.0000  0.0000  1
  Y  Y3  8  0.1239  0.1239  0.2483  1
  Y  Y4  8  0.2485  0.2485  0.9967  1
]