data_BaNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.48
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiSn2
_chemical_formula_sum   'Ba1 Ni1 Sn2'
_cell_volume   109.32
_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  0.42  0.0  0.61  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.29  0.24  0.34  1.0
  Sn  Sn3  1  0.55  0.24  0.88  1.0

data_BaNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.68
_cell_length_c   5.53
_cell_angle_alpha   109.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiSn2
_chemical_formula_sum   'Ba1 Ni1 Sn2'
_cell_volume   109.32
_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  0.0  0.58  0.39  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.76  0.45  0.12  1.0
  Sn  Sn3  1  0.76  0.71  0.66  1.0

Ba Ni Sn Sn