data_BaIn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   3.51
_cell_angle_alpha   99.22
_cell_angle_beta   99.22
_cell_angle_gamma   121.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Ag
_chemical_formula_sum   'Ba1 In2 Ag1'
_cell_volume   122.09
_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
  Ba  Ba1  1  0.23  0.0  0.0  1.0
  In  In2  1  0.04  0.15  0.66  1.0
  In  In3  1  0.04  0.85  0.66  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_BaIn2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   6.26
_cell_length_c   6.55
_cell_angle_alpha   114.67
_cell_angle_beta   99.22
_cell_angle_gamma   103.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Ag
_chemical_formula_sum   'Ba1 In2 Ag1'
_cell_volume   122.09
_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
  Ba  Ba0  1  0.0  0.0  0.23  1.0
  In  In1  1  0.51  0.85  0.89  1.0
  In  In2  1  0.81  0.15  0.19  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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