data_TaIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.14
_cell_angle_alpha   98.66
_cell_angle_beta   98.66
_cell_angle_gamma   120.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2As
_chemical_formula_sum   'Ta1 In2 As1'
_cell_volume   83.47
_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  0.83  0.0  0.0  1.0
  In  In1  1  0.94  0.47  0.5  1.0
  In  In2  1  0.94  0.53  0.5  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TaIn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.57
_cell_length_c   5.69
_cell_angle_alpha   114.77
_cell_angle_beta   98.66
_cell_angle_gamma   104.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2As
_chemical_formula_sum   'Ta1 In2 As1'
_cell_volume   83.47
_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  0.0  0.0  0.83  1.0
  In  In1  1  0.03  0.53  0.47  1.0
  In  In2  1  0.96  0.47  0.4  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ta In In As