data_KTlCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   40.54
_cell_angle_beta   40.54
_cell_angle_gamma   40.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlCu2
_chemical_formula_sum   'K1 Tl1 Cu2'
_cell_volume   110.84
_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
  Tl  Tl3  1  0.0  0.0  0.11  1.0
  Cu  Cu0  1  0.0  0.0  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.18  1.0

data_KTlCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.95
_cell_length_b   4.59
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   113.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTlCu2
_chemical_formula_sum   'K2 Tl2 Cu4'
_cell_volume   221.68
_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  0.89  1.0
  Cu  Cu2  2  0.0  0.0  0.82  1.0
  Cu  Cu3  2  0.0  0.0  0.97  1.0

K Tl Cu Cu