data_Tl2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   131.31
_cell_angle_beta   131.31
_cell_angle_gamma   71.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReP
_chemical_formula_sum   'Tl2 Re1 P1'
_cell_volume   80.01
_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  0.0  0.27  1.0
  Tl  Tl3  1  0.0  0.16  0.13  1.0
  Re  Re1  1  0.16  0.0  0.13  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Tl2ReP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.25
_cell_angle_alpha   114.34
_cell_angle_beta   114.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReP
_chemical_formula_sum   'Tl2 Re1 P1'
_cell_volume   80.01
_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  0.03  0.16  0.03  1.0
  Tl  Tl1  1  0.73  0.0  0.73  1.0
  Re  Re2  1  0.87  0.0  0.03  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Tl Re P