data_[Zr8Co2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2589]
_cell_length_b [6.4072]
_cell_length_c [6.3273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr4CoRu]
_chemical_formula_sum '[Zr8 Co2 Ru2]'
_cell_volume [253.6846]
_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
[
  Zr  Zr0  4  0.1721  0.1642  0.3533  1
  Zr  Zr1  4  0.3341  0.6743  0.3188  1
  Co  Co2  2  0.5000  0.0000  0.5000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]