data_[Be4H2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0497]
_cell_length_b [4.3924]
_cell_length_c [4.5099]
_cell_angle_alpha [72.0755]
_cell_angle_beta [89.4336]
_cell_angle_gamma [69.8052]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be2HC]
_chemical_formula_sum '[Be4 H2 C2]'
_cell_volume [53.6309]
_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  1  0.3890  0.5521  0.0388  1
  Be  Be1  1  0.5373  0.2783  0.7325  1
  Be  Be2  1  0.7724  0.7995  0.7127  1
  Be  Be3  1  0.9936  0.1482  0.3657  1
  H  H4  1  0.5109  0.4655  0.3887  1
  H  H5  1  0.7898  0.8825  0.3749  1
  C  C6  1  0.0020  0.3409  0.9478  1
  C  C7  1  0.1669  0.0162  0.7970  1
]