data_[Be4Co2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9969]
_cell_length_b [7.2385]
_cell_length_c [2.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2CoRu]
_chemical_formula_sum '[Be4 Co2 Ru2]'
_cell_volume [83.5283]
_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
[
  Be  Be0  4  0.2500  0.2500  0.0000  1
  Co  Co1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  2  0.0000  0.5000  0.5000  1
]