data_[Ca4B4Ru4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3584]
_cell_length_b [8.4366]
_cell_length_c [7.0321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaBRuO5]
_chemical_formula_sum '[Ca4 B4 Ru4 O20]'
_cell_volume [342.6824]
_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  4  0.0000  0.3409  0.7500  1.0
  B  B1  4  0.0000  0.3111  0.2500  1.0
  Ru  Ru2  4  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1025  0.2181  0.1300  1.0
  O  O4  8  0.1726  0.4231  0.4055  1.0
  O  O5  4  0.0000  0.0669  0.7500  1.0
]