data_[Pr4Mg6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5727]
_cell_length_b [4.4984]
_cell_length_c [7.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Mg3Ru2]
_chemical_formula_sum '[Pr4 Mg6 Ru4]'
_cell_volume [328.6735]
_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  0.1292  0.5000  0.3604  1.0
  Mg  Mg1  4  0.1802  0.5000  0.8606  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0794  0.0000  0.6483  1.0
]