data_KTlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   8.67
_cell_angle_alpha   25.43
_cell_angle_beta   25.43
_cell_angle_gamma   25.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlP2
_chemical_formula_sum   'K1 Tl1 P2'
_cell_volume   105.99
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.58  1.0
  P  P1  1  0.0  0.0  0.29  1.0
  P  P2  1  0.0  0.0  0.88  1.0

data_KTlP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.62
_cell_length_b   3.82
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTlP2
_chemical_formula_sum   'K2 Tl2 P4'
_cell_volume   211.97
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  -0.0  0.0  0.42  1.0
  P  P2  2  -0.0  0.0  0.12  1.0
  P  P3  2  0.0  0.0  0.71  1.0

K Tl P P
K Tl P P 0 3 o o - 0 2 o o o 1 2 o o o 1 3 o o o 