data_[Pm2Er6Th6]
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
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.4850]
_cell_length_b [9.4850]
_cell_length_c [5.8109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Pm(ErTh)3]
_chemical_formula_sum '[Pm2 Er6 Th6]'
_cell_volume [452.7454]
_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  0.3333  0.6667  0.2500  1
  Er  Er1  6  0.0424  0.2365  0.2500  1
  Th  Th2  6  0.1010  0.4837  0.7500  1
]