data_[Be4P4H4]
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 [9.2373]
_cell_length_b [3.7050]
_cell_length_c [6.4788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BePH]
_chemical_formula_sum '[Be4 P4 H4]'
_cell_volume [157.8245]
_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  2  0.1343  0.5000  0.1654  1.0
  Be  Be1  2  0.2203  0.5000  0.8421  1.0
  P  P2  2  0.0520  0.0000  0.2104  1.0
  P  P3  2  0.1049  0.0000  0.5990  1.0
  H  H4  2  0.1062  0.5000  0.9200  1.0
  H  H5  2  0.3993  0.5000  0.4757  1.0
]