data_Tl2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   137.16
_cell_angle_beta   137.16
_cell_angle_gamma   62.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdP
_chemical_formula_sum   'Tl2 Cd1 P1'
_cell_volume   102.44
_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  0.22  0.0  0.6  1.0
  Tl  Tl3  1  0.0  0.22  0.6  1.0
  Cd  Cd0  1  0.0  0.0  0.2  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Tl2CdP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   121.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CdP
_chemical_formula_sum   'Tl4 Cd2 P2'
_cell_volume   204.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.39  0.39  0.38  1.0
  Cd  Cd1  2  0.0  0.0  0.2  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Tl Tl Cd P
Tl Tl Cd P 0 1 o o o 2 3 o o o 