data_[La8Pm18In22]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.3880]
_cell_length_b [23.8762]
_cell_length_c [3.6035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La4Pm9In11]
_chemical_formula_sum '[La8 Pm18 In22]'
_cell_volume [1409.9997]
_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  8  0.1756  0.4177  0.5000  1
  Pm  Pm1  8  0.1063  0.0974  0.5000  1
  Pm  Pm2  8  0.1122  0.2783  0.5000  1
  Pm  Pm3  2  0.0000  0.5000  0.5000  1
  In  In4  8  0.2236  0.1858  0.0000  1
  In  In5  4  0.0000  0.1899  0.0000  1
  In  In6  4  0.0000  0.3789  0.0000  1
  In  In7  4  0.1972  0.0000  0.0000  1
  In  In8  2  0.0000  0.0000  0.0000  1
]