data_[Be4Cr2Mo4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3215]
_cell_length_b [9.3215]
_cell_length_c [2.9577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Be2CrMo2Ru5]
_chemical_formula_sum '[Be4 Cr2 Mo4 Ru10]'
_cell_volume [256.9953]
_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  0.1236  0.3764  0.0000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  4  0.1760  0.6760  0.0000  1.0
  Ru  Ru3  8  0.0684  0.2065  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]