data_[Ti2V2Re2Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [P2_1/m]
_cell_length_a [6.9853]
_cell_length_b [3.1257]
_cell_length_c [8.8447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiVReMo3]
_chemical_formula_sum '[Ti2 V2 Re2 Mo6]'
_cell_volume [182.9886]
_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
[
  Ti  Ti0  2  0.1679  0.7500  0.2908  1.0
  V  V1  2  0.4972  0.7500  0.1254  1.0
  Re  Re2  2  0.4985  0.7500  0.6244  1.0
  Mo  Mo3  2  0.1696  0.2500  0.5448  1.0
  Mo  Mo4  2  0.1711  0.2500  0.0401  1.0
  Mo  Mo5  2  0.1772  0.7500  0.7945  1.0
]