data_TlCdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58
_cell_length_b   4.62
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdP
_chemical_formula_sum   'Tl4 Cd4 P4'
_cell_volume   293.68
_cell_formula_units_Z   4
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  Tl8  1  0.98  0.16  0.53  1.0
  Tl  Tl9  1  0.32  0.47  0.23  1.0
  Tl  Tl10  1  0.61  0.47  0.87  1.0
  Tl  Tl11  1  0.27  0.16  0.17  1.0
  Cd  Cd0  1  0.24  0.16  0.4  1.0
  Cd  Cd1  1  0.63  0.47  0.7  1.0
  Cd  Cd2  1  0.34  0.47  0.0  1.0
  Cd  Cd3  1  0.95  0.16  0.7  1.0
  P  P4  1  0.75  0.16  0.61  1.0
  P  P5  1  0.12  0.47  0.91  1.0
  P  P6  1  0.83  0.47  0.79  1.0
  P  P7  1  0.46  0.16  0.49  1.0

data_TlCdP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.62
_cell_length_b   7.4
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlCdP
_chemical_formula_sum   'Tl4 Cd4 P4'
_cell_volume   293.68
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.03  0.02  1.0
  Tl  Tl1  2  0.16  0.67  0.32  1.0
  Cd  Cd2  2  0.16  0.5  0.34  1.0
  Cd  Cd3  2  0.16  0.8  0.05  1.0
  P  P4  2  0.16  0.59  0.54  1.0
  P  P5  2  0.16  0.71  0.83  1.0

Tl Tl Tl Tl Cd Cd Cd Cd P P P P
Tl Tl Tl Tl Cd Cd Cd Cd P P P P 0 7 o o o 0 8 o o o 1 3 o o o 1 6 o o o 1 4 o o o 2 5 o o o 2 10 o o o 3 4 o o o 3 6 o o o 4 11 o o o 5 8 o o o 5 10 o o o 6 9 o o - 7 8 o o o 7 10 o o o 8 10 o o o 