# generated using pymatgen
data_ZrTiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78098870
_cell_length_b   3.78099018
_cell_length_c   7.91055556
_cell_angle_alpha   103.82657120
_cell_angle_beta   103.82657424
_cell_angle_gamma   90.00000646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiAs
_chemical_formula_sum   'Zr2 Ti2 As2'
_cell_volume   106.43372042
_cell_formula_units_Z   2
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  0.67933673  0.67933673  0.35867347  1.0
  Zr  Zr1  1  0.32066327  0.32066327  0.64132653  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.50000000  0.00000000  0.00000000  1.0
  As  As4  1  0.12944428  0.12944428  0.25888856  1.0
  As  As5  1  0.87055572  0.87055572  0.74111144  1.0