data_YTlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   121.6
_cell_angle_beta   121.6
_cell_angle_gamma   87.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlAg2
_chemical_formula_sum   'Y1 Tl1 Ag2'
_cell_volume   88.65
_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  0.65  1.0
  Ag  Ag0  1  0.46  0.0  0.83  1.0
  Ag  Ag1  1  0.0  0.46  0.83  1.0

data_YTlAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   133.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTlAg2
_chemical_formula_sum   'Y2 Tl2 Ag4'
_cell_volume   177.3
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.35  0.0  0.35  1.0
  Ag  Ag2  4  0.4  0.23  0.64  1.0

Y Tl Ag Ag