data_[La18Pm6Se36]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5424]
_cell_length_b [12.5424]
_cell_length_c [14.8382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La3PmSe6]
_chemical_formula_sum '[La18 Pm6 Se36]'
_cell_volume [2021.4959]
_cell_formula_units_Z [6]
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  18  0.0495  0.2704  0.7022  1
  Pm  Pm1  3  0.0000  0.0000  0.0000  1
  Pm  Pm2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0226  0.2125  0.8994  1
  Se  Se4  18  0.0320  0.1931  0.3767  1
]