data_[Ti6Nb6Re3Mo18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5150]
_cell_length_b [5.5150]
_cell_length_c [21.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ti2Nb2ReMo6]
_chemical_formula_sum '[Ti6 Nb6 Re3 Mo18]'
_cell_volume [572.6930]
_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
[
  Ti  Ti0  6  0.0000  0.0000  0.3266  1
  Nb  Nb1  6  0.0000  0.0000  0.4419  1
  Re  Re2  3  0.0000  0.0000  0.0000  1
  Mo  Mo3  18  0.0030  0.5015  0.5617  1
]