data_Ba2ZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnIn
_chemical_formula_sum   'Ba2 Zn1 In1'
_cell_volume   157.7
_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  0.86  0.0  0.76  1.0
  Ba  Ba1  1  0.0  0.0  0.31  1.0
  Zn  Zn3  1  0.0  0.0  0.72  1.0
  In  In2  1  0.86  0.0  0.17  1.0

data_Ba2ZnIn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2ZnIn
_chemical_formula_sum   'Ba2 Zn1 In1'
_cell_volume   157.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.31  1.0
  Ba  Ba1  1  0.86  0.0  0.76  1.0
  Zn  Zn2  1  0.0  0.0  0.72  1.0
  In  In3  1  0.86  0.0  0.17  1.0

Ba Ba Zn In