data_Ta2ZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   17.37
_cell_angle_beta   17.37
_cell_angle_gamma   17.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnIn
_chemical_formula_sum   'Ta2 Zn1 In1'
_cell_volume   73.84
_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  Ta1  1  0.0  0.0  0.28  1.0
  Ta  Ta2  1  0.0  0.0  0.74  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.51  1.0

data_Ta2ZnIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2ZnIn
_chemical_formula_sum   'Ta4 Zn2 In2'
_cell_volume   147.67
_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  0.0  0.0  0.26  1.0
  Ta  Ta1  2  0.0  0.0  0.72  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.0  0.0  0.49  1.0

Ta Ta Zn In