data_[Na2Mg2In2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0239]
_cell_length_b [4.0239]
_cell_length_c [11.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaMgInSe3]
_chemical_formula_sum '[Na2 Mg2 In2 Se6]'
_cell_volume [347.3828]
_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
[
  Na  Na0  2  0.2167  0.2500  0.1669  1.0
  Mg  Mg1  2  0.3444  0.7500  0.9091  1.0
  In  In2  2  0.1136  0.2500  0.6367  1.0
  Se  Se3  2  0.0767  0.2500  0.8528  1.0
  Se  Se4  2  0.2273  0.7500  0.5327  1.0
  Se  Se5  2  0.4727  0.7500  0.1521  1.0
]