data_YTlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   5.79
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlP2
_chemical_formula_sum   'Y1 Tl1 P2'
_cell_volume   93.91
_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  0.9  0.42  1.0
  Tl  Tl2  1  0.02  0.0  0.62  1.0
  P  P0  1  0.0  0.0  0.6  1.0
  P  P1  1  0.02  0.9  0.42  1.0

data_YTlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.03
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlP2
_chemical_formula_sum   'Y1 Tl1 P2'
_cell_volume   93.91
_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  0.42  0.0  0.9  1.0
  Tl  Tl1  1  0.62  0.02  0.0  1.0
  P  P2  1  0.42  0.02  0.9  1.0
  P  P3  1  0.6  0.0  0.0  1.0

Y Tl P P
Y Tl P P 0 3 o o o 1 2 o o o 