data_[Ti4Co12Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5444]
_cell_length_b [4.8699]
_cell_length_c [5.5071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Co6Re]
_chemical_formula_sum '[Ti4 Co12 Re2]'
_cell_volume [228.6831]
_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  4  0.1710  0.5000  0.1400  1
  Co  Co1  8  0.0817  0.2659  0.6781  1
  Co  Co2  4  0.1832  0.0000  0.3470  1
  Re  Re3  2  0.0000  0.0000  0.0000  1
]