data_K2MgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   135.13
_cell_angle_beta   135.13
_cell_angle_gamma   65.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgCr
_chemical_formula_sum   'K2 Mg1 Cr1'
_cell_volume   151.44
_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  0.58  0.85  1.0
  K  K2  1  0.58  0.0  0.85  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.69  1.0

data_K2MgCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   122.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2MgCr
_chemical_formula_sum   'K4 Mg2 Cr2'
_cell_volume   302.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.21  0.21  0.27  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.0  0.0  0.69  1.0

K K Mg Cr
K K Mg Cr 0 2 o + + 1 2 + o + 2 3 o o - 