data_[La6Pm2Th2]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.6718]
_cell_length_b [3.6718]
_cell_length_c [30.1775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [La3PmTh]
_chemical_formula_sum '[La6 Pm2 Th2]'
_cell_volume [352.3492]
_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  2  0.0000  0.0000  0.3236  1
  La  La1  2  0.3333  0.6667  0.1205  1
  La  La2  2  0.3333  0.6667  0.4298  1
  Pm  Pm3  2  0.3333  0.6667  0.7257  1
  Th  Th4  2  0.0000  0.0000  0.0253  1
]