data_TiTlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.16
_cell_length_c   3.33
_cell_angle_alpha   74.87
_cell_angle_beta   73.87
_cell_angle_gamma   31.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlP
_chemical_formula_sum   'Ti1 Tl1 P1'
_cell_volume   63.2
_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
  Ti  Ti1  1  0.31  0.39  0.42  1.0
  Tl  Tl2  1  0.31  0.39  0.72  1.0
  P  P0  1  0.31  0.39  0.69  1.0

data_TiTlP
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.33
_cell_length_b   11.42
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   TiTlP
_chemical_formula_sum   'Ti2 Tl2 P2'
_cell_volume   126.47
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Ti  Ti0  2  0.0  0.0  0.19  1.0
  Tl  Tl1  2  0.0  0.0  0.89  1.0
  P  P2  2  0.0  0.0  0.91  1.0

Ti Tl P
Ti Tl P 0 2 o o o 0 1 o o o 1 2 o o o 