data_BaZn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.37
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Sb
_chemical_formula_sum   'Ba1 Zn2 Sb1'
_cell_volume   115.52
_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  0.25  0.19  0.06  1.0
  Zn  Zn2  1  0.51  0.19  0.83  1.0
  Zn  Zn3  1  0.44  0.0  0.99  1.0
  Sb  Sb1  1  0.27  0.0  0.97  1.0

data_BaZn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.44
_cell_length_c   6.17
_cell_angle_alpha   105.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Sb
_chemical_formula_sum   'Ba1 Zn2 Sb1'
_cell_volume   115.52
_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  0.81  0.75  0.94  1.0
  Zn  Zn1  1  0.0  0.56  0.01  1.0
  Zn  Zn2  1  0.81  0.49  0.17  1.0
  Sb  Sb3  1  0.0  0.73  0.03  1.0

Ba Zn Zn Sb