data_[Pm2Tm6Th4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6063]
_cell_length_b [4.0565]
_cell_length_c [8.0695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmTm3(ThP3)2]
_chemical_formula_sum '[Pm2 Tm6 Th4 P12]'
_cell_volume [561.7278]
_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
  Tm  Tm1  4  0.1656  0.0000  0.8337  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.1654  0.0000  0.3307  1
  P  P4  4  0.0022  0.0000  0.7429  1
  P  P5  4  0.1645  0.5000  0.5891  1
  P  P6  4  0.1694  0.5000  0.0773  1
]