# generated using pymatgen
data_TiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86423297
_cell_length_b   6.86423297
_cell_length_c   6.86423297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2
_chemical_formula_sum   'Ti8 Cr16'
_cell_volume   323.42683045
_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  0.00000000  0.00000000  0.50000000  1
  Ti  Ti1  1  0.75000000  0.25000000  0.25000000  1
  Ti  Ti2  1  0.00000000  0.50000000  0.00000000  1
  Ti  Ti3  1  0.75000000  0.75000000  0.75000000  1
  Ti  Ti4  1  0.50000000  0.00000000  0.00000000  1
  Ti  Ti5  1  0.25000000  0.25000000  0.75000000  1
  Ti  Ti6  1  0.50000000  0.50000000  0.50000000  1
  Ti  Ti7  1  0.25000000  0.75000000  0.25000000  1
  Cr  Cr8  1  0.12500000  0.87500000  0.87500000  1
  Cr  Cr9  1  0.12500000  0.62500000  0.62500000  1
  Cr  Cr10  1  0.87500000  0.87500000  0.12500000  1
  Cr  Cr11  1  0.87500000  0.12500000  0.87500000  1
  Cr  Cr12  1  0.12500000  0.37500000  0.37500000  1
  Cr  Cr13  1  0.12500000  0.12500000  0.12500000  1
  Cr  Cr14  1  0.87500000  0.37500000  0.62500000  1
  Cr  Cr15  1  0.87500000  0.62500000  0.37500000  1
  Cr  Cr16  1  0.62500000  0.87500000  0.37500000  1
  Cr  Cr17  1  0.62500000  0.62500000  0.12500000  1
  Cr  Cr18  1  0.37500000  0.87500000  0.62500000  1
  Cr  Cr19  1  0.37500000  0.12500000  0.37500000  1
  Cr  Cr20  1  0.62500000  0.37500000  0.87500000  1
  Cr  Cr21  1  0.62500000  0.12500000  0.62500000  1
  Cr  Cr22  1  0.37500000  0.37500000  0.12500000  1
  Cr  Cr23  1  0.37500000  0.62500000  0.87500000  1
