data_BaZnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   145.56
_cell_angle_beta   145.56
_cell_angle_gamma   49.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnSb
_chemical_formula_sum   'Ba1 Zn1 Sb1'
_cell_volume   92.77
_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  0.0  0.06  1.0
  Zn  Zn2  1  0.0  0.0  0.35  1.0
  Sb  Sb1  1  0.0  0.0  0.63  1.0

data_BaZnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   114.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZnSb
_chemical_formula_sum   'Ba2 Zn2 Sb2'
_cell_volume   185.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.06  0.0  0.06  1.0
  Zn  Zn1  2  0.35  0.0  0.35  1.0
  Sb  Sb2  2  0.13  0.5  0.63  1.0

Ba Zn Sb