data_[V6Re6Mo9]
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 [R3m]
_cell_length_a [4.3079]
_cell_length_b [4.3079]
_cell_length_c [21.0367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [V2Re2Mo3]
_chemical_formula_sum '[V6 Re6 Mo9]'
_cell_volume [338.1026]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2476  1
  V  V1  3  0.0000  0.0000  0.7545  1
  Re  Re2  3  0.0000  0.0000  0.0010  1
  Re  Re3  3  0.0000  0.0000  0.4965  1
  Mo  Mo4  3  0.0000  0.0000  0.3768  1
  Mo  Mo5  3  0.0000  0.0000  0.6252  1
  Mo  Mo6  3  0.0000  0.0000  0.8734  1
]