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 [C2/m]
_cell_length_a [12.2632]
_cell_length_b [3.5256]
_cell_length_c [4.6987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2PH]
_chemical_formula_sum '[Be8 P4 H4]'
_cell_volume [202.9367]
_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  0.1785  0.5000  0.5145  1.0
  Be  Be1  4  0.1787  0.5000  0.9685  1.0
  P  P2  4  0.1619  0.0000  0.2395  1.0
  H  H3  4  0.0972  0.5000  0.7320  1.0
]