data_[Be8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2951]
_cell_length_b [3.0282]
_cell_length_c [5.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2C]
_chemical_formula_sum '[Be8 C4]'
_cell_volume [85.5269]
_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  2  0.0905  0.5000  0.5401  1
  Be  Be1  2  0.2507  0.0000  0.0418  1
  Be  Be2  2  0.4121  0.5000  0.3173  1
  Be  Be3  2  0.4342  0.5000  0.7622  1
  C  C4  2  0.0668  0.5000  0.1996  1
  C  C5  2  0.1131  0.5000  0.8785  1
]