data_[V4Cu1Ru5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0246]
_cell_length_b [3.0246]
_cell_length_c [14.8574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [V4CuRu5]
_chemical_formula_sum '[V4 Cu1 Ru5]'
_cell_volume [135.9214]
_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  0.0000  0.1884  1.0
  V  V1  2  0.0000  0.0000  0.3965  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  2  0.5000  0.5000  0.1037  1.0
  Ru  Ru4  2  0.5000  0.5000  0.2988  1.0
  Ru  Ru5  1  0.5000  0.5000  0.5000  1.0
]