data_[Pm1Gd1Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Gd  1.2000  1.8000  1.0750
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5995]
_cell_length_b [3.5995]
_cell_length_c [8.8141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PmGdTh]
_chemical_formula_sum '[Pm1 Gd1 Th1]'
_cell_volume [98.9003]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.9904  1
  Gd  Gd1  1  0.0000  0.0000  0.3454  1
  Th  Th2  1  0.6667  0.3333  0.6642  1
]