data_Tl2SnP
_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   131.3
_cell_angle_beta   131.3
_cell_angle_gamma   71.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnP
_chemical_formula_sum   'Tl2 Sn1 P1'
_cell_volume   106.52
_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
  Tl  Tl2  1  0.0  0.0  0.69  1.0
  Tl  Tl3  1  0.0  0.38  0.35  1.0
  Sn  Sn1  1  0.38  0.0  0.35  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Tl2SnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.78
_cell_angle_alpha   114.35
_cell_angle_beta   114.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnP
_chemical_formula_sum   'Tl2 Sn1 P1'
_cell_volume   106.52
_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
  Tl  Tl0  1  0.69  0.69  0.69  1.0
  Tl  Tl1  1  0.97  0.35  0.97  1.0
  Sn  Sn2  1  0.35  0.97  0.97  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Tl Sn P