data_[Pa4Ga4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8234]
_cell_length_b [5.9032]
_cell_length_c [8.5465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PaGaFe]
_chemical_formula_sum '[Pa4 Ga4 Fe4]'
_cell_volume [221.0428]
_cell_formula_units_Z [4]
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
[
  Pa  Pa0  4  0.1951  0.1297  0.9035  1
  Ga  Ga1  4  0.2889  0.6167  0.1043  1
  Fe  Fe2  4  0.3065  0.6276  0.8284  1
]