data_[Ho3Pa2Fe1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3354]
_cell_length_b [3.3354]
_cell_length_c [15.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ho3Pa2Fe]
_chemical_formula_sum '[Ho3 Pa2 Fe1]'
_cell_volume [148.6042]
_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
[
  Ho  Ho0  2  0.3333  0.6667  0.3711  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  2  0.3333  0.6667  0.8162  1
  Fe  Fe3  1  0.0000  0.0000  0.5000  1
]