data_[La4Pm4Th2Mg10]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.6864]
_cell_length_b [10.6864]
_cell_length_c [5.2427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [La2Pm2ThMg5]
_chemical_formula_sum '[La4 Pm4 Th2 Mg10]'
_cell_volume [598.7141]
_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  0.1757  0.3243  0.0000  1
  Pm  Pm1  4  0.1236  0.6236  0.0000  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  8  0.0750  0.8047  0.5000  1
  Mg  Mg4  2  0.0000  0.5000  0.5000  1
]