data_[K4Sr4Be4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9878]
_cell_length_b [11.7956]
_cell_length_c [10.0755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSrBeCl5]
_chemical_formula_sum '[K4 Sr4 Be4 Cl20]'
_cell_volume [982.7339]
_cell_formula_units_Z [4]
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  4  0.0000  0.3572  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.0000  0.3134  0.2500  1.0
  Cl  Cl3  8  0.1203  0.2149  0.1572  1.0
  Cl  Cl4  8  0.1577  0.4161  0.4084  1.0
  Cl  Cl5  4  0.0000  0.1027  0.7500  1.0
]