data_[Sc4Be4V2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3836]
_cell_length_b [9.3836]
_cell_length_c [3.1402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2Be2VRu5]
_chemical_formula_sum '[Sc4 Be4 V2 Ru10]'
_cell_volume [276.5027]
_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
[
  Sc  Sc0  4  0.1726  0.6726  0.0000  1.0
  Be  Be1  4  0.1250  0.3750  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  8  0.0691  0.2039  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]