data_AlAgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   150.28
_cell_angle_beta   149.09
_cell_angle_gamma   43.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgB2
_chemical_formula_sum   'Al1 Ag1 B2'
_cell_volume   52.11
_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
  Al  Al1  1  0.0  0.0  0.35  1.0
  Ag  Ag0  1  0.51  0.0  0.1  1.0
  B  B2  1  0.51  0.0  0.25  1.0
  B  B3  1  0.0  0.0  0.74  1.0

data_AlAgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.14
_cell_length_c   5.9
_cell_angle_alpha   105.45
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgB2
_chemical_formula_sum   'Al1 Ag1 B2'
_cell_volume   52.11
_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
  Al  Al0  1  0.0  0.35  0.35  1.0
  Ag  Ag1  1  0.0  0.1  0.58  1.0
  B  B2  1  0.0  0.25  0.74  1.0
  B  B3  1  0.0  0.74  0.74  1.0

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