data_BaTa2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   119.16
_cell_angle_beta   119.16
_cell_angle_gamma   91.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2In
_chemical_formula_sum   'Ba1 Ta2 In1'
_cell_volume   96.06
_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
  Ba  Ba0  1  0.59  0.0  0.79  1.0
  Ta  Ta2  1  0.0  0.59  0.79  1.0
  Ta  Ta3  1  0.0  0.0  0.57  1.0
  In  In1  1  0.0  0.0  0.0  1.0

data_BaTa2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   91.46
_cell_angle_beta   119.16
_cell_angle_gamma   119.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2In
_chemical_formula_sum   'Ba1 Ta2 In1'
_cell_volume   96.06
_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
  Ba  Ba0  1  0.79  0.19  0.79  1.0
  Ta  Ta1  1  0.57  0.57  0.57  1.0
  Ta  Ta2  1  0.79  0.79  0.19  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Ba Ta Ta In