data_Ta2SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   136.86
_cell_angle_beta   136.86
_cell_angle_gamma   62.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiAs
_chemical_formula_sum   'Ta2 Si1 As1'
_cell_volume   65.56
_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  Ta2  1  0.92  0.0  0.23  1.0
  Ta  Ta3  1  0.0  0.0  0.46  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.92  0.23  1.0

data_Ta2SiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.22
_cell_angle_alpha   111.57
_cell_angle_beta   111.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiAs
_chemical_formula_sum   'Ta2 Si1 As1'
_cell_volume   65.56
_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  0.23  0.31  0.31  1.0
  Ta  Ta1  1  0.46  0.46  0.46  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.31  0.23  0.31  1.0

Ta Ta Si As