data_[Be8P4H4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.5417]
_cell_length_b [12.1525]
_cell_length_c [3.7634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2PH]
_chemical_formula_sum '[Be8 P4 H4]'
_cell_volume [167.3578]
_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  0.0638  0.2491  0.0454  1.0
  Be  Be1  2  0.2888  0.5000  0.5174  1.0
  Be  Be2  2  0.3829  0.0000  0.7439  1.0
  P  P3  4  0.0676  0.1534  0.5500  1.0
  H  H4  2  0.2477  0.5000  0.8643  1.0
  H  H5  2  0.4204  0.0000  0.1508  1.0
]