data_[K4Mg2Zn4Se8]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7543]
_cell_length_b [4.0270]
_cell_length_c [7.7726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mg(ZnSe2)2]
_chemical_formula_sum '[K4 Mg2 Zn4 Se8]'
_cell_volume [467.7573]
_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  0.1237  0.0000  0.5439  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1713  0.5000  0.9814  1.0
  Se  Se3  4  0.0189  0.5000  0.7760  1.0
  Se  Se4  4  0.2087  0.0000  0.1854  1.0
]