data_AgBiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   39.87
_cell_angle_beta   39.87
_cell_angle_gamma   39.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBiB2
_chemical_formula_sum   'Ag1 Bi1 B2'
_cell_volume   62.58
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.62  1.0
  B  B1  1  0.0  0.0  0.42  1.0
  B  B2  1  0.0  0.0  0.83  1.0

data_AgBiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   3.77
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   113.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBiB2
_chemical_formula_sum   'Ag2 Bi2 B4'
_cell_volume   125.17
_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
  Ag  Ag0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  -0.0  0.0  0.38  1.0
  B  B2  2  -0.0  0.0  0.17  1.0
  B  B3  2  0.0  0.0  0.58  1.0

Ag Bi B B
Ag Bi B B 0 3 o o - 1 2 o o o 1 3 o o o 