data_YTl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   142.53
_cell_angle_beta   128.28
_cell_angle_gamma   65.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Re
_chemical_formula_sum   'Y1 Tl2 Re1'
_cell_volume   90.84
_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  Tl1  1  0.86  0.0  0.62  1.0
  Tl  Tl2  1  0.0  0.52  0.24  1.0
  Re  Re0  1  0.0  0.0  0.86  1.0

data_YTl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.04
_cell_length_c   5.78
_cell_angle_alpha   115.86
_cell_angle_beta   108.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Re
_chemical_formula_sum   'Y1 Tl2 Re1'
_cell_volume   90.84
_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  0.62  0.76  1.0
  Tl  Tl2  1  0.48  0.72  0.72  1.0
  Re  Re3  1  0.0  0.86  0.86  1.0

Y Tl Tl Re