data_[Be4H4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9760]
_cell_length_b [4.3136]
_cell_length_c [5.9726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeHCl]
_chemical_formula_sum '[Be4 H4 Cl4]'
_cell_volume [239.9911]
_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
[
  Be  Be0  4  0.0357  0.2501  0.7923  1.0
  H  H1  2  0.1104  0.5000  0.7474  1.0
  H  H2  2  0.1294  0.0000  0.9601  1.0
  Cl  Cl3  2  0.4004  0.5000  0.4673  1.0
  Cl  Cl4  2  0.4444  0.0000  0.9517  1.0
]