data_AgSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   140.96
_cell_angle_beta   140.96
_cell_angle_gamma   56.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSn2B
_chemical_formula_sum   'Ag1 Sn2 B1'
_cell_volume   82.07
_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  0.98  0.61  1.0
  Sn  Sn2  1  0.98  0.0  0.61  1.0
  Sn  Sn3  1  0.0  0.0  0.23  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AgSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.93
_cell_angle_alpha   109.52
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSn2B
_chemical_formula_sum   'Ag1 Sn2 B1'
_cell_volume   82.07
_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  0.63  0.61  0.63  1.0
  Sn  Sn1  1  0.23  0.23  0.23  1.0
  Sn  Sn2  1  0.61  0.63  0.63  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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