data_[Sr4Ga12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [12.4255]
_cell_length_b [6.5253]
_cell_length_c [5.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrGa3Ru]
_chemical_formula_sum '[Sr4 Ga12 Ru4]'
_cell_volume [413.6796]
_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
[
  Sr  Sr0  4  0.1528  0.0000  0.9881  1
  Ga  Ga1  4  0.0000  0.1876  0.5000  1
  Ga  Ga2  4  0.0853  0.5000  0.1417  1
  Ga  Ga3  4  0.2500  0.2500  0.5000  1
  Ru  Ru4  4  0.1146  0.5000  0.6455  1
]