data_[Pm2Sm6Th4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7482]
_cell_length_b [3.6279]
_cell_length_c [7.2320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSm3Th2N6]
_chemical_formula_sum '[Pm2 Sm6 Th4 N12]'
_cell_volume [402.3571]
_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
[
  Pm  Pm0  2  0.0000  0.5000  0.0000  1
  Sm  Sm1  4  0.1648  0.0000  0.8347  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.1652  0.0000  0.3296  1
  N  N4  4  0.0031  0.0000  0.2533  1
  N  N5  4  0.1671  0.5000  0.0894  1
  N  N6  4  0.1682  0.5000  0.5779  1
]