data_BaAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   132.17
_cell_angle_beta   132.17
_cell_angle_gamma   69.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgSb2
_chemical_formula_sum   'Ba1 Ag1 Sb2'
_cell_volume   120.36
_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  Ba1  1  0.46  0.0  0.49  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.97  1.0
  Sb  Sb3  1  0.0  0.46  0.49  1.0

data_BaAgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.07
_cell_angle_alpha   113.92
_cell_angle_beta   113.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgSb2
_chemical_formula_sum   'Ba1 Ag1 Sb2'
_cell_volume   120.36
_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  0.49  0.03  0.03  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.03  0.49  0.03  1.0
  Sb  Sb3  1  0.97  0.97  0.97  1.0

Ba Ag Sb Sb