data_[K2Sm2Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [8.4358]
_cell_length_b [5.5762]
_cell_length_c [8.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSmBe2F8]
_chemical_formula_sum '[K2 Sm2 Be4 F16]'
_cell_volume [388.6509]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1242  0.5000  0.7707  1.0
  F  F3  8  0.0186  0.2668  0.7947  1.0
  F  F4  4  0.2052  0.5000  0.6147  1.0
  F  F5  4  0.2385  0.5000  0.9315  1.0
]