# generated using pymatgen
data_Ti4CrSi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40733388
_cell_length_b   7.40733431
_cell_length_c   4.98767233
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CrSi3B
_chemical_formula_sum   'Ti8 Cr2 Si6 B2'
_cell_volume   237.00220227
_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  0.66666700  0.33333300  0.50000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti2  1  0.75329104  0.75329104  0.25499025  1.0
  Ti  Ti3  1  0.24670896  0.00000000  0.25499025  1.0
  Ti  Ti4  1  0.00000000  0.24670896  0.25499025  1.0
  Ti  Ti5  1  0.24670896  0.24670896  0.74500975  1.0
  Ti  Ti6  1  0.75329104  1.00000000  0.74500975  1.0
  Ti  Ti7  1  1.00000000  0.75329104  0.74500975  1.0
  Cr  Cr8  1  0.33333300  0.66666700  0.00000000  1.0
  Cr  Cr9  1  0.66666700  0.33333300  0.00000000  1.0
  Si  Si10  1  0.40240118  0.40240118  0.22911210  1.0
  Si  Si11  1  0.59759882  1.00000000  0.22911210  1.0
  Si  Si12  1  1.00000000  0.59759882  0.22911210  1.0
  Si  Si13  1  0.59759882  0.59759882  0.77088790  1.0
  Si  Si14  1  0.40240118  0.00000000  0.77088790  1.0
  Si  Si15  1  0.00000000  0.40240118  0.77088790  1.0
  B  B16  1  0.00000000  0.00000000  0.50000000  1.0
  B  B17  1  0.00000000  0.00000000  0.00000000  1.0