data_KMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg6Mo
_chemical_formula_sum   'K1 Mg6 Mo1'
_cell_volume   181.6
_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
  Mg  Mg1  1  0.54  0.84  0.0  1.0
  Mg  Mg2  1  1.0  0.37  0.0  1.0
  Mg  Mg3  1  0.46  0.84  0.0  1.0
  Mg  Mg4  1  0.67  0.97  0.58  1.0
  Mg  Mg5  1  0.19  0.59  0.58  1.0
  Mg  Mg6  1  0.7  0.97  0.58  1.0
  Mo  Mo7  1  1.0  0.68  0.58  1.0

data_KMg6Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.16
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg6Mo
_chemical_formula_sum   'K1 Mg6 Mo1'
_cell_volume   181.6
_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
  Mg  Mg1  1  0.0  0.46  0.84  1.0
  Mg  Mg2  1  0.0  0.54  0.84  1.0
  Mg  Mg3  1  0.0  1.0  0.37  1.0
  Mg  Mg4  1  0.58  0.19  0.59  1.0
  Mg  Mg5  1  0.58  0.67  0.97  1.0
  Mg  Mg6  1  0.58  0.7  0.97  1.0
  Mo  Mo7  1  0.58  1.0  0.68  1.0

K Mg Mg Mg Mg Mg Mg Mo