data_[Ti8Mo6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0705]
_cell_length_b [3.1796]
_cell_length_c [7.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ti4Mo3]
_chemical_formula_sum '[Ti8 Mo6]'
_cell_volume [227.7084]
_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  0.0704  0.5000  0.7115  1
  Ti  Ti1  2  0.2972  0.0000  0.8775  1
  Ti  Ti2  2  0.3370  0.5000  0.5648  1
  Ti  Ti3  2  0.4331  0.0000  0.2795  1
  Mo  Mo4  2  0.0093  0.0000  0.9964  1
  Mo  Mo5  2  0.1429  0.0000  0.4250  1
  Mo  Mo6  2  0.2102  0.5000  0.1453  1
]