data_BaSiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   140.83
_cell_angle_beta   124.43
_cell_angle_gamma   70.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiAg
_chemical_formula_sum   'Ba1 Si1 Ag1'
_cell_volume   86.83
_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  0.0  0.0  0.03  1.0
  Si  Si2  1  0.0  0.0  0.26  1.0
  Ag  Ag0  1  0.0  0.0  0.84  1.0

data_BaSiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.16
_cell_length_c   5.54
_cell_angle_alpha   117.78
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiAg
_chemical_formula_sum   'Ba1 Si1 Ag1'
_cell_volume   86.83
_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  0.03  0.03  1.0
  Si  Si1  1  0.0  0.26  0.26  1.0
  Ag  Ag2  1  0.0  0.84  0.84  1.0

Ba Si Ag