data_Tl2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   152.08
_cell_angle_beta   138.41
_cell_angle_gamma   50.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeP
_chemical_formula_sum   'Tl2 Fe1 P1'
_cell_volume   87.87
_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  0.33  0.87  1.0
  Tl  Tl3  1  0.0  0.0  0.46  1.0
  Fe  Fe0  1  0.0  0.33  0.55  1.0
  P  P1  1  0.0  0.0  0.93  1.0

data_Tl2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.67
_cell_length_c   6.57
_cell_angle_alpha   110.79
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeP
_chemical_formula_sum   'Tl2 Fe1 P1'
_cell_volume   87.87
_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  0.13  0.46  0.46  1.0
  Tl  Tl1  1  0.54  0.54  0.54  1.0
  Fe  Fe2  1  0.45  0.79  0.79  1.0
  P  P3  1  0.07  0.07  0.07  1.0

Tl Tl Fe P