data_Ba2TlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlAg
_chemical_formula_sum   'Ba2 Tl1 Ag1'
_cell_volume   149.23
_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  0.12  0.86  0.05  1.0
  Ba  Ba2  1  0.12  0.14  0.05  1.0
  Tl  Tl3  1  0.24  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ba2TlAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.11
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2TlAg
_chemical_formula_sum   'Ba2 Tl1 Ag1'
_cell_volume   149.23
_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  0.05  0.14  0.12  1.0
  Tl  Tl1  1  0.0  0.0  0.24  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0

Ba Ba Tl Ag