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 [Amm2]
_cell_length_a [7.4221]
_cell_length_b [3.2231]
_cell_length_c [15.4394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BeCl5]
_chemical_formula_sum '[Be2 Cl10]'
_cell_volume [369.3493]
_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  0.0000  0.0000  0.9293  1.0
  Cl  Cl1  2  0.0000  0.0000  0.0492  1.0
  Cl  Cl2  2  0.0000  0.0000  0.3536  1.0
  Cl  Cl3  2  0.5000  0.0000  0.4678  1.0
  Cl  Cl4  2  0.5000  0.0000  0.6121  1.0
  Cl  Cl5  2  0.5000  0.0000  0.7548  1.0
]