data_BaAgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgB2
_chemical_formula_sum   'Ba1 Ag1 B2'
_cell_volume   68.47
_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  Ba3  1  0.48  0.48  0.54  1.0
  Ag  Ag0  1  0.0  0.0  0.46  1.0
  B  B1  1  0.48  0.48  0.67  1.0
  B  B2  1  0.0  0.0  1.0  1.0

data_BaAgB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaAgB2
_chemical_formula_sum   'Ba2 Ag2 B4'
_cell_volume   136.93
_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  0.48  0.0  0.54  1.0
  Ag  Ag1  2  0.0  0.0  0.46  1.0
  B  B2  2  0.0  0.0  1.0  1.0
  B  B3  2  0.48  0.0  0.67  1.0

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