data_BaNbZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.97
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbZn2
_chemical_formula_sum   'Ba1 Nb1 Zn2'
_cell_volume   96.2
_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  0.99  0.76  1.0
  Nb  Nb1  1  0.0  0.0  0.4  1.0
  Zn  Zn2  1  0.59  0.99  0.43  1.0
  Zn  Zn3  1  0.0  0.0  0.42  1.0

data_BaNbZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.97
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbZn2
_chemical_formula_sum   'Ba1 Nb1 Zn2'
_cell_volume   96.2
_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  0.99  0.76  1.0
  Nb  Nb1  1  0.0  0.0  0.4  1.0
  Zn  Zn2  1  0.0  0.0  0.42  1.0
  Zn  Zn3  1  0.59  0.99  0.43  1.0

Ba Nb Zn Zn