data_[Ce4Sc2B4Ru10]
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
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7920]
_cell_length_b [9.7920]
_cell_length_c [3.1559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ce2ScB2Ru5]
_chemical_formula_sum '[Ce4 Sc2 B4 Ru10]'
_cell_volume [302.5938]
_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  0.1757  0.3243  0.0000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1221  0.6221  0.0000  1
  Ru  Ru3  8  0.0720  0.7768  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]