# generated using pymatgen
data_TaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44367825
_cell_length_b   3.44357520
_cell_length_c   6.35258860
_cell_angle_alpha   105.71667393
_cell_angle_beta   105.71656072
_cell_angle_gamma   90.00416363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs
_chemical_formula_sum   'Ta2 As2'
_cell_volume   69.58536438
_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
  Ta  Ta0  1  0.00003355  0.00024884  0.00035045  1.0
  Ta  Ta1  1  0.75022431  0.25000732  0.50037019  1.0
  As  As2  1  0.41755411  0.41759455  0.83502081  1.0
  As  As3  1  0.16758803  0.66754929  0.33505855  1.0