data_[Be4V16C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9905]
_cell_length_b [9.6536]
_cell_length_c [10.1616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Be(V2C)2]
_chemical_formula_sum '[Be4 V16 C8]'
_cell_volume [293.3503]
_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  0.0000  0.3890  0.2500  1
  V  V1  8  0.0000  0.2355  0.6112  1
  V  V2  4  0.0000  0.0706  0.2500  1
  V  V3  4  0.0000  0.5000  0.0000  1
  C  C4  8  0.0000  0.1357  0.0625  1
]