data_K(CaTl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   133.86
_cell_angle_beta   133.86
_cell_angle_gamma   67.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(CaTl)2
_chemical_formula_sum   'K1 Ca2 Tl2'
_cell_volume   213.15
_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  K2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.11  1.0
  Ca  Ca1  1  0.0  0.0  0.33  1.0
  Tl  Tl3  1  0.0  0.93  0.11  1.0
  Tl  Tl4  1  0.93  0.0  0.11  1.0

data_K(CaTl)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   123.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K(CaTl)2
_chemical_formula_sum   'K2 Ca4 Tl4'
_cell_volume   426.3
_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
  Ca  Ca1  2  0.0  0.0  0.11  1.0
  Ca  Ca2  2  0.0  0.0  0.33  1.0
  Tl  Tl3  4  0.04  0.04  0.18  1.0

K Ca Ca Tl Tl