# generated using pymatgen
data_Zr3Ti3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91181635
_cell_length_b   6.91181611
_cell_length_c   3.63297334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ti3BAs2
_chemical_formula_sum   'Zr3 Ti3 B1 As2'
_cell_volume   150.30629942
_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
  Zr  Zr0  1  1.00000000  0.60291726  0.50000000  1.0
  Zr  Zr1  1  0.39708274  0.39708274  0.50000000  1.0
  Zr  Zr2  1  0.60291726  1.00000000  0.50000000  1.0
  Ti  Ti3  1  0.22840070  1.00000000  0.00000000  1.0
  Ti  Ti4  1  0.77159930  0.77159930  0.00000000  1.0
  Ti  Ti5  1  1.00000000  0.22840070  0.00000000  1.0
  B  B6  1  0.00000000  0.00000000  0.50000000  1.0
  As  As7  1  0.33333300  0.66666700  0.00000000  1.0
  As  As8  1  0.66666700  0.33333300  0.00000000  1.0