data_[Be2B2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4770]
_cell_length_b [4.5649]
_cell_length_c [4.6154]
_cell_angle_alpha [86.1212]
_cell_angle_beta [77.7198]
_cell_angle_gamma [77.0872]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeBP]
_chemical_formula_sum '[Be2 B2 P2]'
_cell_volume [69.7544]
_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  0.0260  0.7529  0.0021  1
  Be  Be1  1  0.8151  0.3189  0.1124  1
  B  B2  1  0.2224  0.4057  0.2946  1
  B  B3  1  0.3528  0.6648  0.5040  1
  P  P4  1  0.3977  0.9760  0.1995  1
  P  P5  1  0.8428  0.5065  0.6656  1
]