data_Y2TlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   7.64
_cell_angle_alpha   104.37
_cell_angle_beta   104.37
_cell_angle_gamma   57.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlSi
_chemical_formula_sum   'Y2 Tl1 Si1'
_cell_volume   111.45
_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  Y2  1  0.99  0.0  0.49  1.0
  Y  Y3  1  0.26  0.0  0.84  1.0
  Tl  Tl1  1  0.63  0.0  0.66  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Y2TlSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.24
_cell_length_c   7.64
_cell_angle_alpha   104.37
_cell_angle_beta   90.0
_cell_angle_gamma   118.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlSi
_chemical_formula_sum   'Y2 Tl1 Si1'
_cell_volume   111.45
_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  0.01  0.51  1.0
  Y  Y1  1  0.0  0.74  0.16  1.0
  Tl  Tl2  1  0.0  0.37  0.34  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Y Tl Si