data_Tl2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   6.78
_cell_angle_alpha   111.89
_cell_angle_beta   111.89
_cell_angle_gamma   36.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeP
_chemical_formula_sum   'Tl2 Te1 P1'
_cell_volume   120.27
_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  0.17  0.0  0.03  1.0
  Tl  Tl3  1  0.91  0.0  0.75  1.0
  Te  Te1  1  0.41  0.0  0.98  1.0
  P  P0  1  0.87  0.0  0.82  1.0

data_Tl2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.69
_cell_length_c   6.78
_cell_angle_alpha   111.89
_cell_angle_beta   90.0
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeP
_chemical_formula_sum   'Tl2 Te1 P1'
_cell_volume   120.27
_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  0.0  0.09  0.25  1.0
  Tl  Tl1  1  0.0  0.83  0.97  1.0
  Te  Te2  1  0.0  0.59  0.02  1.0
  P  P3  1  0.0  0.13  0.18  1.0

Tl Tl Te P