data_[Cs2La2Be2Se6]
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
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0006]
_cell_length_b [4.2405]
_cell_length_c [10.1250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaBeSe3]
_chemical_formula_sum '[Cs2 La2 Be2 Se6]'
_cell_volume [405.2366]
_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  0.2355  0.2500  0.1995  1.0
  La  La1  2  0.1558  0.2500  0.6680  1.0
  Be  Be2  2  0.3934  0.7500  0.9270  1.0
  Se  Se3  2  0.1595  0.7500  0.4623  1.0
  Se  Se4  2  0.1628  0.7500  0.8809  1.0
  Se  Se5  2  0.4712  0.2500  0.8474  1.0
]