data_[Cs2Mg2Sb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.9493]
_cell_length_b [4.2955]
_cell_length_c [10.4947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMgSbSe3]
_chemical_formula_sum '[Cs2 Mg2 Sb2 Se6]'
_cell_volume [423.8439]
_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
[
  Cs  Cs0  2  0.1991  0.2500  0.2344  1.0
  Mg  Mg1  2  0.0929  0.2500  0.6093  1.0
  Sb  Sb2  2  0.3411  0.7500  0.8729  1.0
  Se  Se3  2  0.1437  0.2500  0.8683  1.0
  Se  Se4  2  0.1833  0.7500  0.5235  1.0
  Se  Se5  2  0.4538  0.7500  0.1387  1.0
]