data_[Pr6Ga6Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8441]
_cell_length_b [4.0992]
_cell_length_c [5.1964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Ga3Fe2]
_chemical_formula_sum '[Pr6 Ga6 Fe4]'
_cell_volume [355.1093]
_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
[
  Pr  Pr0  4  0.1561  0.0000  0.0686  1
  Pr  Pr1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.1413  0.5000  0.5676  1
  Ga  Ga3  2  0.0000  0.5000  0.0000  1
  Fe  Fe4  4  0.2247  0.0000  0.5776  1
]