# generated using pymatgen
data_TiCrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33175700
_cell_length_b   6.62503695
_cell_length_c   6.62503695
_cell_angle_alpha   119.99998954
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrAs
_chemical_formula_sum   'Ti3 Cr3 As3'
_cell_volume   126.64282985
_cell_formula_units_Z   3
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  0.50000000  0.59521000  0.59521000  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.40479000  1.0
  Ti  Ti2  1  0.50000000  0.40479000  0.00000000  1.0
  Cr  Cr3  1  0.00000000  0.25737900  0.25737900  1.0
  Cr  Cr4  1  0.00000000  0.00000000  0.74262100  1.0
  Cr  Cr5  1  0.00000000  0.74262100  0.00000000  1.0
  As  As6  1  0.00000000  0.66666700  0.33333300  1.0
  As  As7  1  0.00000000  0.33333300  0.66666700  1.0
  As  As8  1  0.50000000  0.00000000  0.00000000  1.0