data_Ba2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.95
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   92.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InNi
_chemical_formula_sum   'Ba2 In1 Ni1'
_cell_volume   133.31
_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  0.78  0.97  0.86  1.0
  Ba  Ba1  1  0.74  0.97  0.66  1.0
  In  In2  1  0.78  0.0  0.26  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Ba2InNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.96
_cell_length_c   8.53
_cell_angle_alpha   92.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InNi
_chemical_formula_sum   'Ba2 In1 Ni1'
_cell_volume   133.31
_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  0.03  0.22  0.14  1.0
  Ba  Ba1  1  0.03  0.26  0.34  1.0
  In  In2  1  0.0  0.22  0.74  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ba Ba In Ni