# generated using pymatgen
data_Ti4B2MoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04475755
_cell_length_b   7.04483560
_cell_length_c   7.04347872
_cell_angle_alpha   129.72942304
_cell_angle_beta   129.72903083
_cell_angle_gamma   73.82859665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4B2MoS
_chemical_formula_sum   'Ti8 B4 Mo2 S2'
_cell_volume   201.69999328
_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  1  0.80954585  0.96206656  0.50001576  1.0
  Ti  Ti1  1  0.30953154  0.80953054  0.84733777  1.0
  Ti  Ti2  1  0.19045415  0.03793344  0.49998424  1.0
  Ti  Ti3  1  0.53793144  0.69045515  0.49998224  1.0
  Ti  Ti4  1  0.03794374  0.53794274  0.84752961  1.0
  Ti  Ti5  1  0.69046846  0.19046946  0.15266223  1.0
  Ti  Ti6  1  0.96205626  0.46205726  0.15247039  1.0
  Ti  Ti7  1  0.46206856  0.30954485  0.50001776  1.0
  B  B8  1  0.38991037  0.88991037  0.27971894  1.0
  B  B9  1  0.88988419  0.61011681  0.50000000  1.0
  B  B10  1  0.61008963  0.11008963  0.72028106  1.0
  B  B11  1  0.11011581  0.38988319  0.50000000  1.0
  Mo  Mo12  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo13  1  0.50000000  0.50000000  0.00000000  1.0
  S  S14  1  0.74994515  0.75005785  0.00000200  1.0
  S  S15  1  0.25005485  0.24994215  0.99999800  1.0