data_[Be3P3H18C3Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4275]
_cell_length_b [7.4275]
_cell_length_c [12.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BePH6CCl3]
_chemical_formula_sum '[Be3 P3 H18 C3 Cl9]'
_cell_volume [600.2049]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6401  1.0
  P  P1  3  0.0000  0.0000  0.0588  1.0
  H  H2  9  0.0620  0.8580  0.0984  1.0
  H  H3  9  0.1584  0.0528  0.8881  1.0
  C  C4  3  0.0000  0.0000  0.9167  1.0
  Cl  Cl5  9  0.1748  0.3685  0.3108  1.0
]