data_AgBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   8.43
_cell_angle_alpha   115.61
_cell_angle_beta   115.61
_cell_angle_gamma   40.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBSe2
_chemical_formula_sum   'Ag1 B1 Se2'
_cell_volume   93.73
_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  0.56  1.0
  B  B1  1  0.09  0.0  0.93  1.0
  Se  Se2  1  0.51  0.0  0.78  1.0
  Se  Se3  1  0.24  0.0  0.96  1.0

data_AgBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.39
_cell_length_c   7.64
_cell_angle_alpha   84.36
_cell_angle_beta   78.52
_cell_angle_gamma   69.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBSe2
_chemical_formula_sum   'Ag1 B1 Se2'
_cell_volume   93.73
_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  0.15  0.56  1.0
  B  B1  1  0.0  0.16  0.93  1.0
  Se  Se2  1  0.0  0.28  0.96  1.0
  Se  Se3  1  0.0  0.73  0.78  1.0

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