data_[Ti2Re2Mo12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2174]
_cell_length_b [5.2611]
_cell_length_c [7.5862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiReMo6]
_chemical_formula_sum '[Ti2 Re2 Mo12]'
_cell_volume [279.8904]
_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  0.0000  0.5000  0.5000  1
  Re  Re1  2  0.0000  0.0000  0.0000  1
  Mo  Mo2  8  0.2008  0.2585  0.2956  1
  Mo  Mo3  4  0.1283  0.5000  0.9146  1
]