data_[Pm2Th28Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.5445]
_cell_length_b [7.1532]
_cell_length_c [12.3911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PmTh14Sc]
_chemical_formula_sum '[Pm2 Th28 Sc2]'
_cell_volume [1023.2599]
_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  0.5000  0.0000  0.9605  1
  Th  Th1  8  0.2516  0.2481  0.3753  1
  Th  Th2  4  0.0000  0.2491  0.5418  1
  Th  Th3  4  0.2477  0.0000  0.1253  1
  Th  Th4  4  0.2520  0.0000  0.6241  1
  Th  Th5  4  0.5000  0.2473  0.2057  1
  Th  Th6  2  0.0000  0.0000  0.2927  1
  Th  Th7  2  0.0000  0.0000  0.7921  1
  Sc  Sc8  2  0.5000  0.0000  0.4597  1
]