data_[Pm2Er4Th6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  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 [7.1019]
_cell_length_b [12.2820]
_cell_length_c [7.0387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmEr2(ThP2)3]
_chemical_formula_sum '[Pm2 Er4 Th6 P12]'
_cell_volume [578.2000]
_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  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.3329  0.0000  1
  Th  Th2  4  0.0000  0.1656  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2490  0.3305  0.7557  1
  P  P5  4  0.2418  0.5000  0.2431  1
]