data_[K2Mg2Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3401]
_cell_length_b [3.0273]
_cell_length_c [8.2481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMgCr2]
_chemical_formula_sum '[K2 Mg2 Cr4]'
_cell_volume [207.6324]
_cell_formula_units_Z [2]
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  2  0.0042  0.5000  0.5315  1
  Mg  Mg1  2  0.2318  0.5000  0.1613  1
  Cr  Cr2  2  0.2683  0.0000  0.8630  1
  Cr  Cr3  2  0.4957  0.5000  0.9443  1
]