data_[Ba1Pm1Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5571]
_cell_length_b [5.5571]
_cell_length_c [4.2343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [BaPmCd]
_chemical_formula_sum '[Ba1 Pm1 Cd1]'
_cell_volume [113.2432]
_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
[
  Ba  Ba0  1  0.3333  0.6667  0.0000  1
  Pm  Pm1  1  0.6667  0.3333  0.5000  1
  Cd  Cd2  1  0.0000  0.0000  0.5000  1
]