data_Ba2ZrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   6.78
_cell_angle_alpha   106.47
_cell_angle_beta   106.47
_cell_angle_gamma   42.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrSb
_chemical_formula_sum   'Ba2 Zr1 Sb1'
_cell_volume   154.4
_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  0.1  0.0  0.28  1.0
  Ba  Ba1  1  0.97  0.0  0.51  1.0
  Zr  Zr3  1  0.11  0.0  0.12  1.0
  Sb  Sb2  1  0.41  0.0  0.78  1.0

data_Ba2ZrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   5.96
_cell_length_c   6.78
_cell_angle_alpha   106.47
_cell_angle_beta   90.0
_cell_angle_gamma   111.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrSb
_chemical_formula_sum   'Ba2 Zr1 Sb1'
_cell_volume   154.4
_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  0.03  0.49  1.0
  Ba  Ba1  1  0.0  0.9  0.72  1.0
  Zr  Zr2  1  0.0  0.89  0.88  1.0
  Sb  Sb3  1  0.0  0.59  0.22  1.0

Ba Ba Zr Sb