data_In2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   152.88
_cell_angle_beta   146.44
_cell_angle_gamma   43.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgB
_chemical_formula_sum   'In2 Ag1 B1'
_cell_volume   76.73
_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
  In  In2  1  0.0  0.94  0.52  1.0
  In  In3  1  0.0  0.0  0.07  1.0
  Ag  Ag0  1  0.0  0.94  0.91  1.0
  B  B1  1  0.0  0.0  0.25  1.0

data_In2AgB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.89
_cell_length_c   6.73
_cell_angle_alpha   106.78
_cell_angle_beta   103.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgB
_chemical_formula_sum   'In2 Ag1 B1'
_cell_volume   76.73
_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
  In  In0  1  0.0  0.07  0.07  1.0
  In  In1  1  0.06  0.58  0.58  1.0
  Ag  Ag2  1  0.06  0.97  0.97  1.0
  B  B3  1  0.0  0.25  0.25  1.0

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