data_Tl2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.67
_cell_angle_alpha   110.31
_cell_angle_beta   110.31
_cell_angle_gamma   33.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeP
_chemical_formula_sum   'Tl2 Fe1 P1'
_cell_volume   86.99
_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  0.2  0.0  0.15  1.0
  Tl  Tl3  1  0.52  0.0  0.82  1.0
  Fe  Fe0  1  0.69  0.0  0.52  1.0
  P  P1  1  0.4  0.0  0.71  1.0

data_Tl2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.43
_cell_length_c   5.67
_cell_angle_alpha   110.31
_cell_angle_beta   90.0
_cell_angle_gamma   107.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeP
_chemical_formula_sum   'Tl2 Fe1 P1'
_cell_volume   86.99
_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  0.48  0.18  1.0
  Tl  Tl1  1  0.0  0.8  0.85  1.0
  Fe  Fe2  1  0.0  0.31  0.48  1.0
  P  P3  1  0.0  0.6  0.29  1.0

Tl Tl Fe P
Tl Tl Fe P 0 1 - o - 0 1 o o - 0 0 + - o 0 3 o o - 0 3 o o o 0 2 o o o 0 2 - + o 1 3 o o o 1 2 o o o 2 3 o o o 