data_KMg2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   7.31
_cell_angle_alpha   95.46
_cell_angle_beta   95.46
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Cr
_chemical_formula_sum   'K1 Mg2 Cr1'
_cell_volume   119.31
_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  0.5  0.0  0.89  1.0
  Mg  Mg2  1  0.37  0.0  0.61  1.0
  Mg  Mg3  1  0.97  0.0  0.39  1.0
  Cr  Cr0  1  0.81  0.0  0.29  1.0

data_KMg2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.34
_cell_length_c   7.31
_cell_angle_alpha   95.46
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Cr
_chemical_formula_sum   'K1 Mg2 Cr1'
_cell_volume   119.31
_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  0.5  0.11  1.0
  Mg  Mg1  1  0.0  0.03  0.61  1.0
  Mg  Mg2  1  0.0  0.63  0.39  1.0
  Cr  Cr3  1  0.0  0.19  0.71  1.0

K Mg Mg Cr