# generated using pymatgen
data_TiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88366891
_cell_length_b   4.88366891
_cell_length_c   7.82751525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2
_chemical_formula_sum   'Ti4 Cr8'
_cell_volume   161.67653031
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.43936900  1
  Ti  Ti1  1  0.66666700  0.33333300  0.93936900  1
  Ti  Ti2  1  0.66666700  0.33333300  0.56063100  1
  Ti  Ti3  1  0.33333300  0.66666700  0.06063100  1
  Cr  Cr4  1  0.65976900  0.82988500  0.75000000  1
  Cr  Cr5  1  0.34023100  0.17011500  0.25000000  1
  Cr  Cr6  1  0.82988500  0.17011500  0.25000000  1
  Cr  Cr7  1  0.17011500  0.34023100  0.75000000  1
  Cr  Cr8  1  0.17011500  0.82988500  0.75000000  1
  Cr  Cr9  1  0.82988500  0.65976900  0.25000000  1
  Cr  Cr10  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr11  1  0.00000000  0.00000000  0.00000000  1
