data_K2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   6.15
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   98.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrMo
_chemical_formula_sum   'K2 Cr1 Mo1'
_cell_volume   84.87
_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  0.1  0.08  0.79  1.0
  K  K2  1  0.91  0.08  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.52  1.0

data_K2CrMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.09
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrMo
_chemical_formula_sum   'K2 Cr1 Mo1'
_cell_volume   84.87
_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  0.09  0.75  0.92  1.0
  K  K1  1  0.9  0.21  0.92  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  1.0  0.48  0.0  1.0

K K Cr Mo