data_TaInAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.41
_cell_length_c   3.03
_cell_angle_alpha   81.44
_cell_angle_beta   75.27
_cell_angle_gamma   23.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInAs
_chemical_formula_sum   'Ta1 In1 As1'
_cell_volume   63.35
_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  0.83  0.41  0.96  1.0
  In  In1  1  0.83  0.41  0.76  1.0
  As  As0  1  0.83  0.41  1.0  1.0

data_TaInAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.65
_cell_length_b   14.36
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   127.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInAs
_chemical_formula_sum   'Ta2 In2 As2'
_cell_volume   126.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.41  0.0  0.21  1.0
  In  In1  2  0.41  0.0  0.42  1.0
  As  As2  2  0.41  0.0  0.18  1.0

Ta In As
Ta In As 0 2 o o o 0 1 o o o 1 2 o o o 