data_KGaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaMo
_chemical_formula_sum   'K1 Ga1 Mo1'
_cell_volume   68.55
_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  K1  1  0.0  0.0  0.01  1.0
  Ga  Ga0  1  1.0  0.94  0.03  1.0
  Mo  Mo2  1  0.55  0.47  0.06  1.0

data_KGaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaMo
_chemical_formula_sum   'K1 Ga1 Mo1'
_cell_volume   68.55
_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  0.01  0.0  0.0  1.0
  Ga  Ga1  1  0.03  1.0  0.94  1.0
  Mo  Mo2  1  0.06  0.55  0.47  1.0

K Ga Mo
K Ga Mo 0 1 - - o 0 2 o o o 0 2 - - o 1 2 + + o 1 2 o o o 