data_AgB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   3.95
_cell_angle_alpha   112.51
_cell_angle_beta   112.51
_cell_angle_gamma   112.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB3
_chemical_formula_sum   'Ag1 B3'
_cell_volume   41.3
_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
  B  B1  1  0.36  0.05  0.1  1.0
  B  B2  1  0.64  0.05  0.1  1.0
  B  B3  1  0.0  0.9  0.1  1.0

data_AgB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.95
_cell_length_c   3.95
_cell_angle_alpha   112.51
_cell_angle_beta   106.23
_cell_angle_gamma   106.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB3
_chemical_formula_sum   'Ag1 B3'
_cell_volume   41.3
_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
  B  B1  1  0.1  0.1  0.21  1.0
  B  B2  1  0.1  0.75  0.05  1.0
  B  B3  1  0.1  0.46  0.05  1.0

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