# generated using pymatgen
data_TiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86906161
_cell_length_b   4.86906161
_cell_length_c   15.75987579
_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   'Ti8 Cr16'
_cell_volume   323.57425636
_cell_formula_units_Z   8
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  0.84385000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.09441000  1
  Ti  Ti2  1  0.00000000  0.00000000  0.90559000  1
  Ti  Ti3  1  0.66666700  0.33333300  0.15615000  1
  Ti  Ti4  1  0.00000000  0.00000000  0.59441000  1
  Ti  Ti5  1  0.66666700  0.33333300  0.34385000  1
  Ti  Ti6  1  0.00000000  0.00000000  0.40559000  1
  Ti  Ti7  1  0.33333300  0.66666700  0.65615000  1
  Cr  Cr8  1  0.00000000  0.50000000  0.50000000  1
  Cr  Cr9  1  0.83674100  0.16325900  0.75000000  1
  Cr  Cr10  1  0.66666700  0.33333300  0.62392600  1
  Cr  Cr11  1  0.16325900  0.32651700  0.25000000  1
  Cr  Cr12  1  0.32651700  0.16325900  0.75000000  1
  Cr  Cr13  1  0.83674100  0.67348300  0.75000000  1
  Cr  Cr14  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr15  1  0.67348300  0.83674100  0.25000000  1
  Cr  Cr16  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr17  1  0.16325900  0.83674100  0.25000000  1
  Cr  Cr18  1  0.33333300  0.66666700  0.37607400  1
  Cr  Cr19  1  0.00000000  0.50000000  0.00000000  1
  Cr  Cr20  1  0.66666700  0.33333300  0.87607400  1
  Cr  Cr21  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr22  1  0.33333300  0.66666700  0.12392600  1
  Cr  Cr23  1  0.50000000  0.00000000  0.00000000  1
