# generated using pymatgen
data_BaAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12292808
_cell_length_b   6.45350606
_cell_length_c   6.45350745
_cell_angle_alpha   74.91370240
_cell_angle_beta   71.68279457
_cell_angle_gamma   71.68278330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAs3
_chemical_formula_sum   'Ba2 As6'
_cell_volume   226.09881338
_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
  Ba  Ba0  1  0.33827367  0.83603573  0.83603573  1.0
  Ba  Ba1  1  0.66172733  0.16396427  0.16396427  1.0
  As  As2  1  0.18098531  0.90333220  0.37552788  1.0
  As  As3  1  0.81901469  0.62447212  0.09666780  1.0
  As  As4  1  0.20023589  0.50613862  0.50613862  1.0
  As  As5  1  0.79976411  0.49386138  0.49386138  1.0
  As  As6  1  0.18098531  0.37552788  0.90333220  1.0
  As  As7  1  0.81901469  0.09666780  0.62447212  1.0