data_[Ca4Si4B2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8822]
_cell_length_b [4.2092]
_cell_length_c [7.2202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Si2BRu2]
_chemical_formula_sum '[Ca4 Si4 B2 Ru4]'
_cell_volume [251.9834]
_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  0.0704  0.5000  0.8337  1.0
  Si  Si1  4  0.1559  0.0000  0.5965  1.0
  B  B2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.2117  0.0000  0.3241  1.0
]