data_KNa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   131.52
_cell_angle_beta   131.52
_cell_angle_gamma   70.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Mo
_chemical_formula_sum   'K1 Na2 Mo1'
_cell_volume   142.51
_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  0.19  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.62  0.0  0.6  1.0
  Mo  Mo1  1  0.0  0.62  0.6  1.0

data_KNa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.38
_cell_angle_alpha   114.24
_cell_angle_beta   114.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Mo
_chemical_formula_sum   'K1 Na2 Mo1'
_cell_volume   142.51
_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  0.19  0.19  0.19  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.6  0.98  0.98  1.0
  Mo  Mo3  1  0.98  0.6  0.98  1.0

K Na Na Mo
K Na Na Mo 0 1 o o o 1 2 - o - 1 3 o - - 