data_[Ti2Mo12W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7603]
_cell_length_b [4.4815]
_cell_length_c [9.5206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti(Mo2W)3]
_chemical_formula_sum '[Ti2 Mo12 W6]'
_cell_volume [318.2765]
_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  0.0492  0.2500  0.4011  1
  Mo  Mo1  2  0.0497  0.7500  0.9013  1
  Mo  Mo2  2  0.1495  0.7500  0.2002  1
  Mo  Mo3  2  0.1517  0.2500  0.7024  1
  Mo  Mo4  2  0.2534  0.7500  0.4991  1
  Mo  Mo5  2  0.3494  0.2500  0.2974  1
  Mo  Mo6  2  0.4488  0.7500  0.0988  1
  W  W7  2  0.2507  0.2500  0.9986  1
  W  W8  2  0.3488  0.7500  0.7980  1
  W  W9  2  0.4484  0.2500  0.5984  1
]