data_[Ca8Ga4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2647]
_cell_length_b [5.8067]
_cell_length_c [8.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2GaRu2]
_chemical_formula_sum '[Ca8 Ga4 Ru8]'
_cell_volume [423.0414]
_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
[
  Ca  Ca0  8  0.1488  0.3684  0.1488  1.0
  Ga  Ga1  4  0.0000  0.0973  0.7500  1.0
  Ru  Ru2  8  0.1379  0.1365  0.5082  1.0
]