data_[Be2P2H2]
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 [P1]
_cell_length_a [3.7020]
_cell_length_b [3.7017]
_cell_length_c [8.5089]
_cell_angle_alpha [85.8284]
_cell_angle_beta [85.2392]
_cell_angle_gamma [60.0773]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BePH]
_chemical_formula_sum '[Be2 P2 H2]'
_cell_volume [100.6459]
_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  1  0.0594  0.5713  0.6495  1.0
  Be  Be1  1  0.5140  0.0358  0.8586  1.0
  P  P2  1  0.7296  0.2404  0.6290  1.0
  P  P3  1  0.8439  0.3668  0.8793  1.0
  H  H4  1  0.4150  0.9707  0.2959  1.0
  H  H5  1  0.5081  0.0302  0.2236  1.0
]