data_[K6Mg2]
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 [Pmmn]
_cell_length_a [6.3671]
_cell_length_b [8.9119]
_cell_length_c [19.8545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K3Mg]
_chemical_formula_sum '[K6 Mg2]'
_cell_volume [1126.5923]
_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  4  0.0000  0.2637  0.3777  1
  K  K1  2  0.0000  0.5000  0.5576  1
  Mg  Mg2  2  0.0000  0.0000  0.5524  1
]