data_[K2Mg4Cr2]
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 [C2/m]
_cell_length_a [9.7716]
_cell_length_b [3.1850]
_cell_length_c [7.5737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMg2Cr]
_chemical_formula_sum '[K2 Mg4 Cr2]'
_cell_volume [234.7314]
_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  0.0000  0.5000  0.0000  1
  Mg  Mg1  4  0.2324  0.5000  0.6679  1
  Cr  Cr2  2  0.0000  0.0000  0.5000  1
]