data_[K2Mg4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.5016]
_cell_length_b [4.8535]
_cell_length_c [13.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMg2]
_chemical_formula_sum '[K2 Mg4]'
_cell_volume [220.9570]
_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  0.1783  0.2500  0.3520  1
  Mg  Mg1  2  0.0281  0.2500  0.0717  1
  Mg  Mg2  2  0.4388  0.2500  0.8618  1
]