data_KSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   6.64
_cell_angle_alpha   96.78
_cell_angle_beta   96.78
_cell_angle_gamma   35.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSnMo2
_chemical_formula_sum   'K1 Sn1 Mo2'
_cell_volume   111.83
_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
  Sn  Sn3  1  0.75  0.0  0.29  1.0
  Mo  Mo1  1  0.86  0.0  0.09  1.0
  Mo  Mo2  1  0.64  0.0  0.5  1.0

data_KSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.42
_cell_length_c   6.64
_cell_angle_alpha   96.78
_cell_angle_beta   90.0
_cell_angle_gamma   107.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSnMo2
_chemical_formula_sum   'K1 Sn1 Mo2'
_cell_volume   111.83
_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
  Sn  Sn1  1  0.0  0.25  0.71  1.0
  Mo  Mo2  1  0.0  0.14  0.91  1.0
  Mo  Mo3  1  0.0  0.36  0.5  1.0

K Sn Mo Mo