data_Tl2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   3.77
_cell_angle_alpha   101.65
_cell_angle_beta   101.65
_cell_angle_gamma   19.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReP
_chemical_formula_sum   'Tl2 Re1 P1'
_cell_volume   95.65
_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  0.26  0.0  0.17  1.0
  Tl  Tl3  1  0.41  0.0  0.52  1.0
  Re  Re1  1  0.33  0.0  0.85  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   2.97
_cell_length_b   3.77
_cell_length_c   8.85
_cell_angle_alpha   101.65
_cell_angle_beta   99.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReP
_chemical_formula_sum   'Tl2 Re1 P1'
_cell_volume   95.65
_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  0.17  0.26  1.0
  Tl  Tl1  1  0.0  0.52  0.41  1.0
  Re  Re2  1  0.0  0.85  0.33  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Tl Re P