data_KZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   156.36
_cell_angle_beta   129.01
_cell_angle_gamma   56.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Mo
_chemical_formula_sum   'K1 Zn2 Mo1'
_cell_volume   79.68
_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  0.54  1.0
  Zn  Zn2  1  0.0  0.0  0.16  1.0
  Zn  Zn3  1  0.3  0.0  0.43  1.0
  Mo  Mo1  1  0.0  0.74  0.23  1.0

data_KZn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   5.47
_cell_length_c   6.36
_cell_angle_alpha   115.49
_cell_angle_beta   101.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Mo
_chemical_formula_sum   'K1 Zn2 Mo1'
_cell_volume   79.68
_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  0.54  0.54  1.0
  Zn  Zn1  1  0.0  0.16  0.16  1.0
  Zn  Zn2  1  0.0  0.43  0.13  1.0
  Mo  Mo3  1  0.26  0.49  0.49  1.0

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