data_KMgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCr
_chemical_formula_sum   'K1 Mg1 Cr1'
_cell_volume   87.11
_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  0.0  0.22  0.06  1.0
  Mg  Mg2  1  0.0  0.0  0.22  1.0
  Cr  Cr0  1  0.79  0.61  0.19  1.0

data_KMgCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCr
_chemical_formula_sum   'K1 Mg1 Cr1'
_cell_volume   87.11
_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  0.06  0.0  0.22  1.0
  Mg  Mg1  1  0.22  0.0  0.0  1.0
  Cr  Cr2  1  0.19  0.79  0.61  1.0

K Mg Cr
K Mg Cr 0 1 o o o 1 2 - - o 