data_K2ZrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   5.69
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrMo
_chemical_formula_sum   'K2 Zr1 Mo1'
_cell_volume   108.89
_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  0.46  0.24  0.27  1.0
  K  K1  1  0.46  0.45  0.27  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.84  0.0  1.0

data_K2ZrMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.69
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrMo
_chemical_formula_sum   'K2 Zr1 Mo1'
_cell_volume   108.89
_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  0.46  0.24  0.27  1.0
  K  K1  1  0.46  0.45  0.27  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.84  0.0  1.0

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