data_BaAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.7
_cell_length_b   10.7
_cell_length_c   10.7
_cell_angle_alpha   20.44
_cell_angle_beta   20.44
_cell_angle_gamma   20.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgBi2
_chemical_formula_sum   'Ba1 Ag1 Bi2'
_cell_volume   130.85
_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  0.0  0.0  0.72  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.13  1.0
  Bi  Bi3  1  0.0  0.0  0.3  1.0

data_BaAgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   3.8
_cell_length_c   10.7
_cell_angle_alpha   90.0
_cell_angle_beta   101.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaAgBi2
_chemical_formula_sum   'Ba2 Ag2 Bi4'
_cell_volume   261.71
_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  0.0  0.0  0.28  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.7  1.0
  Bi  Bi3  2  0.0  0.0  0.87  1.0

Ba Ag Bi Bi
Ba Ag Bi Bi 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o + 1 2 o o o 2 3 o o o 