data_Ba2NaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   4.35
_cell_angle_alpha   91.55
_cell_angle_beta   91.55
_cell_angle_gamma   91.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaAg
_chemical_formula_sum   'Ba2 Na1 Ag1'
_cell_volume   161.94
_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  0.04  0.19  0.18  1.0
  Ba  Ba2  1  0.04  0.81  0.18  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.24  0.0  0.0  1.0

data_Ba2NaAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.35
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   91.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2NaAg
_chemical_formula_sum   'Ba2 Na1 Ag1'
_cell_volume   162.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.18  0.19  0.04  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.0  0.24  1.0

Ba Ba Na Ag