data_[V4Mo3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0466]
_cell_length_b [4.3303]
_cell_length_c [8.6662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [V4Mo3Ru]
_chemical_formula_sum '[V4 Mo3 Ru1]'
_cell_volume [114.3312]
_cell_formula_units_Z [1]
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
[
  V  V0  2  0.0000  0.5000  0.2482  1
  V  V1  1  0.0000  0.0000  0.0000  1
  V  V2  1  0.0000  0.0000  0.5000  1
  Mo  Mo3  2  0.5000  0.0000  0.2463  1
  Mo  Mo4  1  0.5000  0.5000  0.5000  1
  Ru  Ru5  1  0.5000  0.5000  0.0000  1
]