data_[Pr4Ga6Ru4]
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 [C2/m]
_cell_length_a [11.9247]
_cell_length_b [4.6763]
_cell_length_c [6.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ga3Ru2]
_chemical_formula_sum '[Pr4 Ga6 Ru4]'
_cell_volume [344.0503]
_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  0.1102  0.5000  0.7883  1
  Ga  Ga1  4  0.1780  0.5000  0.2789  1
  Ga  Ga2  2  0.0000  0.0000  0.5000  1
  Ru  Ru3  4  0.1816  0.0000  0.3891  1
]