data_YTlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   133.03
_cell_angle_beta   125.7
_cell_angle_gamma   74.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlAg2
_chemical_formula_sum   'Y1 Tl1 Ag2'
_cell_volume   89.66
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.27  1.0
  Ag  Ag0  1  0.0  0.45  0.08  1.0
  Ag  Ag1  1  0.14  0.0  0.19  1.0

data_YTlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.9
_cell_length_c   5.37
_cell_angle_alpha   117.15
_cell_angle_beta   113.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlAg2
_chemical_formula_sum   'Y1 Tl1 Ag2'
_cell_volume   89.66
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.27  0.27  1.0
  Ag  Ag2  1  0.0  0.19  0.05  1.0
  Ag  Ag3  1  0.55  0.63  0.63  1.0

Y Tl Ag Ag