data_[Cs2La2Mg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8853]
_cell_length_b [4.4635]
_cell_length_c [10.5567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaMgSe3]
_chemical_formula_sum '[Cs2 La2 Mg2 Se6]'
_cell_volume [443.1280]
_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  0.2054  0.7500  0.2306  1
  La  La1  2  0.3325  0.2500  0.8588  1
  Mg  Mg2  2  0.0830  0.7500  0.6071  1
  Se  Se3  2  0.1228  0.7500  0.8566  1
  Se  Se4  2  0.1855  0.2500  0.5395  1
  Se  Se5  2  0.4675  0.2500  0.1517  1
]