data_[Be2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.9914]
_cell_length_b [11.9914]
_cell_length_c [15.9782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [BeCl5]
_chemical_formula_sum '[Be2 Cl10]'
_cell_volume [1989.7417]
_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
[
  Be  Be0  2  0.3333  0.6667  0.5199  1
  Cl  Cl1  6  0.1710  0.6585  0.5202  1
  Cl  Cl2  3  0.0000  0.8157  0.4590  1
  Cl  Cl3  1  0.0000  0.0000  0.4617  1
]