data_[Cs2Be3Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0972]
_cell_length_b [7.4415]
_cell_length_c [18.6609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cs2Be3Se4]
_chemical_formula_sum '[Cs2 Be3 Se4]'
_cell_volume [985.5473]
_cell_formula_units_Z [1]
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  1  0.6929  0.0000  0.6089  1
  Cs  Cs1  1  0.8753  0.5000  0.4127  1
  Be  Be2  2  0.2990  0.2698  0.4785  1
  Be  Be3  1  0.1854  0.0000  0.5299  1
  Se  Se4  2  0.1032  0.2570  0.5642  1
  Se  Se5  1  0.3855  0.5000  0.4183  1
  Se  Se6  1  0.4113  0.0000  0.4449  1
]