data_[Cs1Be2In2O6]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9623]
_cell_length_b [5.9961]
_cell_length_c [6.1512]
_cell_angle_alpha [61.8041]
_cell_angle_beta [82.3387]
_cell_angle_gamma [62.5937]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsBe2In2O6]
_chemical_formula_sum '[Cs1 Be2 In2 O6]'
_cell_volume [171.0620]
_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  0.5000  0.0000  0.5000  1
  Be  Be1  2  0.2005  0.8908  0.2112  1
  In  In2  2  0.1272  0.4468  0.7680  1
  O  O3  2  0.0502  0.2127  0.1374  1
  O  O4  2  0.0981  0.6759  0.3716  1
  O  O5  2  0.4753  0.7827  0.1361  1
]