data_Ta2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   18.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2As
_chemical_formula_sum   'Ta16 As8'
_cell_volume   467.27
_cell_formula_units_Z   8
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  Ta8  1  0.0  0.16  0.28  1.0
  Ta  Ta9  1  0.74  0.58  0.75  1.0
  Ta  Ta10  1  0.74  0.58  0.27  1.0
  Ta  Ta11  1  0.0  0.16  0.76  1.0
  Ta  Ta12  1  0.37  0.37  0.01  1.0
  Ta  Ta13  1  0.74  0.0  0.01  1.0
  Ta  Ta14  1  0.63  0.37  0.01  1.0
  Ta  Ta15  1  0.37  0.37  0.0  1.0
  Ta  Ta16  1  0.74  0.0  0.0  1.0
  Ta  Ta17  1  0.63  0.37  0.0  1.0
  Ta  Ta18  1  0.63  0.95  0.52  1.0
  Ta  Ta19  1  0.0  0.58  0.52  1.0
  Ta  Ta20  1  0.37  0.95  0.52  1.0
  Ta  Ta21  1  0.11  0.79  0.51  1.0
  Ta  Ta22  1  0.74  0.16  0.51  1.0
  Ta  Ta23  1  0.36  0.79  0.51  1.0
  As  As0  1  0.0  0.0  0.58  1.0
  As  As1  1  0.0  0.0  0.44  1.0
  As  As2  1  0.0  0.0  0.57  1.0
  As  As3  1  0.0  0.0  0.45  1.0
  As  As4  1  0.0  0.16  0.21  1.0
  As  As5  1  0.74  0.58  0.81  1.0
  As  As6  1  0.74  0.58  0.22  1.0
  As  As7  1  0.0  0.16  0.8  1.0

data_Ta2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   18.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2As
_chemical_formula_sum   'Ta16 As8'
_cell_volume   467.27
_cell_formula_units_Z   8
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  0.0  0.58  0.52  1.0
  Ta  Ta1  1  0.0  0.16  0.28  1.0
  Ta  Ta2  1  0.0  0.16  0.76  1.0
  Ta  Ta3  1  0.11  0.79  0.51  1.0
  Ta  Ta4  1  0.36  0.79  0.51  1.0
  Ta  Ta5  1  0.37  0.37  0.0  1.0
  Ta  Ta6  1  0.37  0.37  0.01  1.0
  Ta  Ta7  1  0.37  0.95  0.52  1.0
  Ta  Ta8  1  0.63  0.95  0.52  1.0
  Ta  Ta9  1  0.63  0.37  0.0  1.0
  Ta  Ta10  1  0.63  0.37  0.01  1.0
  Ta  Ta11  1  0.74  0.0  0.0  1.0
  Ta  Ta12  1  0.74  0.0  0.01  1.0
  Ta  Ta13  1  0.74  0.16  0.51  1.0
  Ta  Ta14  1  0.74  0.58  0.27  1.0
  Ta  Ta15  1  0.74  0.58  0.75  1.0
  As  As16  1  0.0  0.0  0.44  1.0
  As  As17  1  0.0  0.0  0.45  1.0
  As  As18  1  0.0  0.0  0.57  1.0
  As  As19  1  0.0  0.0  0.58  1.0
  As  As20  1  0.0  0.16  0.21  1.0
  As  As21  1  0.0  0.16  0.8  1.0
  As  As22  1  0.74  0.58  0.22  1.0
  As  As23  1  0.74  0.58  0.81  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta As As As As As As As As
Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta As As As As As As As As 0 20 o o o 1 21 o o o 2 22 o o o 3 23 o o o 4 7 o o o 5 8 o o o 6 9 o o o 10 14 o + o 11 13 o o o 12 15 o o o 16 18 o o o 17 19 o o o 