data_TlFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.34
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2P
_chemical_formula_sum   'Tl1 Fe2 P1'
_cell_volume   58.68
_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  Tl3  1  0.83  0.0  0.1  1.0
  Fe  Fe0  1  0.58  0.67  0.11  1.0
  Fe  Fe1  1  0.08  0.67  0.09  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TlFe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.34
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2P
_chemical_formula_sum   'Tl1 Fe2 P1'
_cell_volume   58.68
_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  0.83  0.0  0.1  1.0
  Fe  Fe1  1  0.08  0.67  0.09  1.0
  Fe  Fe2  1  0.58  0.67  0.11  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Fe Fe P