data_[Cs2Sm2Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7115]
_cell_length_b [5.6207]
_cell_length_c [8.9311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSmBe2F8]
_chemical_formula_sum '[Cs2 Sm2 Be4 F16]'
_cell_volume [435.3856]
_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  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1178  0.5000  0.7883  1.0
  F  F3  8  0.0164  0.2708  0.8148  1.0
  F  F4  4  0.1800  0.5000  0.6379  1.0
  F  F5  4  0.2450  0.5000  0.9299  1.0
]