data_TaSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   136.26
_cell_angle_beta   136.26
_cell_angle_gamma   63.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiAs2
_chemical_formula_sum   'Ta1 Si1 As2'
_cell_volume   67.78
_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
  Ta  Ta3  1  0.95  0.0  0.23  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.45  1.0
  As  As1  1  0.0  0.95  0.23  1.0

data_TaSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.24
_cell_angle_alpha   111.87
_cell_angle_beta   111.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiAs2
_chemical_formula_sum   'Ta1 Si1 As2'
_cell_volume   67.78
_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
  Ta  Ta0  1  0.77  0.0  0.72  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.55  0.0  0.55  1.0
  As  As3  1  0.72  0.95  0.72  1.0

Ta Si As As