data_[Be4P4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.9329]
_cell_length_b [4.3583]
_cell_length_c [4.2537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BePC]
_chemical_formula_sum '[Be4 P4 C4]'
_cell_volume [146.0570]
_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  0.1714  0.7533  0.5480  1
  P  P1  4  0.1287  0.0966  0.9044  1
  C  C2  4  0.2397  0.4224  0.7660  1
]