data_Y2TlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   140.29
_cell_angle_beta   140.29
_cell_angle_gamma   57.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlP
_chemical_formula_sum   'Y2 Tl1 P1'
_cell_volume   99.47
_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  0.0  0.0  0.49  1.0
  Y  Y3  1  0.0  0.13  0.75  1.0
  Tl  Tl1  1  0.13  0.0  0.75  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Y2TlP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   6.26
_cell_angle_alpha   109.85
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlP
_chemical_formula_sum   'Y2 Tl1 P1'
_cell_volume   99.47
_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  0.49  0.49  0.49  1.0
  Y  Y1  1  0.62  0.75  0.62  1.0
  Tl  Tl2  1  0.75  0.62  0.62  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Y Y Tl P