data_[Be4P2H2]
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 [P-1]
_cell_length_a [3.9441]
_cell_length_b [3.9535]
_cell_length_c [5.7650]
_cell_angle_alpha [106.4337]
_cell_angle_beta [95.4792]
_cell_angle_gamma [90.1708]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Be2PH]
_chemical_formula_sum '[Be4 P2 H2]'
_cell_volume [85.7848]
_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  2  0.2638  0.0596  0.8785  1
  Be  Be1  2  0.4915  0.6871  0.3538  1
  P  P2  2  0.2509  0.1591  0.2721  1
  H  H3  2  0.2503  0.3846  0.8148  1
]