data_[V8Re6Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6899]
_cell_length_b [5.1825]
_cell_length_c [5.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [V4Re3Mo]
_chemical_formula_sum '[V8 Re6 Mo2]'
_cell_volume [233.0131]
_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
[
  V  V0  4  0.2499  0.4176  0.0650  1
  V  V1  2  0.0000  0.2471  0.3215  1
  V  V2  2  0.0000  0.7417  0.3071  1
  Re  Re3  4  0.2488  0.9099  0.0645  1
  Re  Re4  2  0.0000  0.7503  0.8064  1
  Mo  Mo5  2  0.0000  0.2576  0.8211  1
]