data_[K2Mg2Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5449]
_cell_length_b [4.2299]
_cell_length_c [9.9037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMgSbSe3]
_chemical_formula_sum '[K2 Mg2 Sb2 Se6]'
_cell_volume [388.5489]
_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  0.1863  0.2500  0.2233  1.0
  Mg  Mg1  2  0.0954  0.2500  0.6040  1.0
  Sb  Sb2  2  0.3450  0.7500  0.8692  1.0
  Se  Se3  2  0.1409  0.2500  0.8728  1.0
  Se  Se4  2  0.1859  0.7500  0.5003  1.0
  Se  Se5  2  0.4346  0.7500  0.1412  1.0
]