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 [Pm]
_cell_length_a [4.6094]
_cell_length_b [3.5176]
_cell_length_c [5.8049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Be2PH]
_chemical_formula_sum '[Be4 P2 H2]'
_cell_volume [88.2672]
_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  0.0158  0.0000  0.8762  1.0
  Be  Be1  1  0.3774  0.5000  0.3430  1.0
  Be  Be2  1  0.4496  0.0000  0.6504  1.0
  Be  Be3  1  0.8391  0.5000  0.3431  1.0
  P  P4  1  0.0737  0.0000  0.2655  1.0
  P  P5  1  0.7586  0.5000  0.6859  1.0
  H  H6  1  0.3122  0.0000  0.8381  1.0
  H  H7  1  0.5298  0.5000  0.1611  1.0
]