data_KTiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   7.5
_cell_angle_alpha   90.67
_cell_angle_beta   90.67
_cell_angle_gamma   31.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiMo2
_chemical_formula_sum   'K1 Ti1 Mo2'
_cell_volume   93.49
_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
  Ti  Ti3  1  0.66  0.0  0.75  1.0
  Mo  Mo1  1  0.23  0.0  0.91  1.0
  Mo  Mo2  1  0.1  0.0  0.59  1.0

data_KTiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.89
_cell_length_c   7.5
_cell_angle_alpha   90.67
_cell_angle_beta   90.0
_cell_angle_gamma   105.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiMo2
_chemical_formula_sum   'K1 Ti1 Mo2'
_cell_volume   93.49
_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
  Ti  Ti1  1  0.0  0.34  0.25  1.0
  Mo  Mo2  1  0.0  0.77  0.09  1.0
  Mo  Mo3  1  0.0  0.9  0.41  1.0

K Ti Mo Mo