data_[Pm12Sc2Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7680]
_cell_length_b [5.4405]
_cell_length_c [12.0032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm6ScTl3]
_chemical_formula_sum '[Pm12 Sc2 Tl6]'
_cell_volume [607.4642]
_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  0.1051  0.7500  0.8789  1
  Pm  Pm1  2  0.1265  0.7500  0.1588  1
  Pm  Pm2  2  0.1633  0.2500  0.7000  1
  Pm  Pm3  2  0.2497  0.7500  0.4938  1
  Pm  Pm4  2  0.3418  0.2500  0.3218  1
  Pm  Pm5  2  0.4590  0.7500  0.0912  1
  Sc  Sc6  2  0.0351  0.2500  0.4149  1
  Tl  Tl7  2  0.2267  0.2500  0.0299  1
  Tl  Tl8  2  0.3748  0.7500  0.7816  1
  Tl  Tl9  2  0.4619  0.2500  0.6142  1
]