# generated using pymatgen
data_Ti3Re3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68798318
_cell_length_b   6.68798314
_cell_length_c   3.19695460
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Re3BAs2
_chemical_formula_sum   'Ti3 Re3 B1 As2'
_cell_volume   123.83900749
_cell_formula_units_Z   1
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  0.61331348  1.00000000  0.00000000  1.0
  Ti  Ti1  1  0.38668652  0.38668652  0.00000000  1.0
  Ti  Ti2  1  1.00000000  0.61331348  0.00000000  1.0
  Re  Re3  1  0.24191888  1.00000000  0.50000000  1.0
  Re  Re4  1  0.75808112  0.75808112  0.50000000  1.0
  Re  Re5  1  1.00000000  0.24191888  0.50000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  As  As7  1  0.33333300  0.66666700  0.50000000  1.0
  As  As8  1  0.66666700  0.33333300  0.50000000  1.0