data_[Cs4Na4Mg4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3515]
_cell_length_b [4.5100]
_cell_length_c [11.3405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNaMgSe2]
_chemical_formula_sum '[Cs4 Na4 Mg4 Se8]'
_cell_volume [654.2769]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.1756  0.0000  0.6234  1.0
  Na  Na1  4  0.1522  0.5000  0.9196  1.0
  Mg  Mg2  4  0.0366  0.0000  0.1698  1.0
  Se  Se3  4  0.0588  0.5000  0.3143  1.0
  Se  Se4  4  0.1538  0.0000  0.0707  1.0
]