data_[Pr1Ga3Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5378]
_cell_length_b [5.5378]
_cell_length_c [4.0684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [PrGa3Ru2]
_chemical_formula_sum '[Pr1 Ga3 Ru2]'
_cell_volume [108.0508]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  3  0.0000  0.5000  0.5000  1.0
  Ru  Ru2  2  0.3333  0.6667  0.0000  1.0
]