data_YTlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   34.19
_cell_angle_beta   34.19
_cell_angle_gamma   34.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlP2
_chemical_formula_sum   'Y1 Tl1 P2'
_cell_volume   94.34
_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  Tl2  1  0.0  0.0  0.8  1.0
  P  P0  1  0.0  0.0  0.94  1.0
  P  P1  1  0.0  0.0  0.66  1.0

data_YTlP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.07
_cell_length_b   4.08
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTlP2
_chemical_formula_sum   'Y2 Tl2 P4'
_cell_volume   188.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.2  1.0
  P  P2  2  0.0  0.0  0.06  1.0
  P  P3  2  0.0  0.0  0.34  1.0

Y Tl P P