data_[Ca4Ga4Ru4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1818]
_cell_length_b [4.1523]
_cell_length_c [7.3393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ga2Ru2C]
_chemical_formula_sum '[Ca4 Ga4 Ru4 C2]'
_cell_volume [263.4402]
_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
[
  Ca  Ca0  4  0.0649  0.5000  0.2932  1.0
  Ga  Ga1  4  0.1542  0.0000  0.7024  1.0
  Ru  Ru2  4  0.1953  0.0000  0.0846  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]