data_[Ce4Sc6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2109]
_cell_length_b [3.6791]
_cell_length_c [8.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Sc3Ru2]
_chemical_formula_sum '[Ce4 Sc6 Ru4]'
_cell_volume [320.8822]
_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
[
  Ce  Ce0  4  0.1612  0.0000  0.8025  1
  Sc  Sc1  4  0.1201  0.5000  0.4215  1
  Sc  Sc2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  4  0.1873  0.0000  0.2344  1
]