# generated using pymatgen
data_TiAlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95993949
_cell_length_b   4.98171569
_cell_length_c   8.26897400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.14388398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlCr
_chemical_formula_sum   'Ti4 Al4 Cr4'
_cell_volume   176.68760190
_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  0.66987500  0.33489200  0.55734200  1.0
  Ti  Ti1  1  0.34266600  0.67136800  0.42864700  1.0
  Ti  Ti2  1  0.34266600  0.67136800  0.07135300  1.0
  Ti  Ti3  1  0.66987500  0.33489200  0.94265800  1.0
  Al  Al4  1  0.98510100  0.99262400  0.49255500  1.0
  Al  Al5  1  0.98510100  0.99262400  0.00744500  1.0
  Al  Al6  1  0.17488800  0.34250700  0.75000000  1.0
  Al  Al7  1  0.17480600  0.83234600  0.75000000  1.0
  Cr  Cr8  1  0.66443100  0.83232300  0.75000000  1.0
  Cr  Cr9  1  0.81960400  0.63974400  0.25000000  1.0
  Cr  Cr10  1  0.81934000  0.17965800  0.25000000  1.0
  Cr  Cr11  1  0.35164800  0.17565500  0.25000000  1.0