data_[V12Cr2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1527]
_cell_length_b [5.8244]
_cell_length_c [12.0320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V6CrRe2]
_chemical_formula_sum '[V12 Cr2 Re4]'
_cell_volume [291.0159]
_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  8  0.0000  0.2440  0.1612  1
  V  V1  4  0.0000  0.2610  0.5000  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  Re  Re3  4  0.0000  0.0000  0.3337  1
]