data_YTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   7.19
_cell_length_c   7.19
_cell_angle_alpha   34.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Os
_chemical_formula_sum   'Y1 Tl2 Os1'
_cell_volume   103.2
_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  0.32  1.0
  Tl  Tl1  1  0.0  0.0  0.55  1.0
  Tl  Tl2  1  0.76  0.0  0.57  1.0
  Os  Os0  1  0.76  0.0  0.79  1.0

data_YTl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.28
_cell_length_c   7.19
_cell_angle_alpha   107.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Os
_chemical_formula_sum   'Y1 Tl2 Os1'
_cell_volume   103.2
_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  0.32  0.32  1.0
  Tl  Tl1  1  0.0  0.55  0.55  1.0
  Tl  Tl2  1  0.24  0.57  0.57  1.0
  Os  Os3  1  0.24  0.79  0.79  1.0

Y Tl Tl Os
Y Tl Tl Os 0 1 o o o 1 2 - o o 2 3 o o o 