data_AgBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   3.63
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   95.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBCl2
_chemical_formula_sum   'Ag1 B1 Cl2'
_cell_volume   96.27
_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  0.71  0.0  0.27  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.8  0.81  0.57  1.0
  Cl  Cl3  1  0.63  0.81  0.96  1.0

data_AgBCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.06
_cell_length_c   6.57
_cell_angle_alpha   95.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBCl2
_chemical_formula_sum   'Ag1 B1 Cl2'
_cell_volume   96.27
_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  0.29  0.73  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.19  0.2  0.43  1.0
  Cl  Cl3  1  0.19  0.37  0.04  1.0

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