data_KTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   154.79
_cell_angle_beta   139.75
_cell_angle_gamma   48.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlMo
_chemical_formula_sum   'K1 Tl1 Mo1'
_cell_volume   90.88
_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  0.62  1.0
  Tl  Tl2  1  0.0  0.0  0.45  1.0
  Mo  Mo1  1  0.0  0.0  0.21  1.0

data_KTlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.76
_cell_length_c   6.92
_cell_angle_alpha   110.13
_cell_angle_beta   102.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlMo
_chemical_formula_sum   'K1 Tl1 Mo1'
_cell_volume   90.88
_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  0.38  0.38  0.38  1.0
  Tl  Tl1  1  0.55  0.55  0.55  1.0
  Mo  Mo2  1  0.79  0.79  0.79  1.0

K Tl Mo
K Tl Mo 0 1 o o o 1 2 o o o 