data_Tl2FeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   18.18
_cell_angle_beta   18.18
_cell_angle_gamma   18.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeAg
_chemical_formula_sum   'Tl2 Fe1 Ag1'
_cell_volume   88.35
_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
  Tl  Tl2  1  0.0  0.0  0.51  1.0
  Tl  Tl3  1  0.0  0.0  0.59  1.0
  Fe  Fe1  1  0.0  0.0  0.32  1.0
  Ag  Ag0  1  0.0  0.0  0.27  1.0

data_Tl2FeAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2FeAg
_chemical_formula_sum   'Tl4 Fe2 Ag2'
_cell_volume   176.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tl  Tl0  2  0.0  0.0  0.41  1.0
  Tl  Tl1  2  0.0  0.0  0.49  1.0
  Fe  Fe2  2  0.0  0.0  0.68  1.0
  Ag  Ag3  2  0.0  0.0  0.73  1.0

Tl Tl Fe Ag