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 [Cc]
_cell_length_a [3.8200]
_cell_length_b [10.7226]
_cell_length_c [4.0228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Be2PH]
_chemical_formula_sum '[Be8 P4 H4]'
_cell_volume [164.7714]
_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  0.0565  0.0596  0.0132  1
  Be  Be1  4  0.4578  0.1725  0.2612  1
  P  P2  4  0.4511  0.3569  0.0134  1
  H  H3  4  0.4378  0.0798  0.9981  1
]