data_[Be1P1H2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2062]
_cell_length_b [5.8626]
_cell_length_c [6.4801]
_cell_angle_alpha [97.6718]
_cell_angle_beta [102.0290]
_cell_angle_gamma [116.3234]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeP(HS2)2]
_chemical_formula_sum '[Be1 P1 H2 S4]'
_cell_volume [167.5248]
_cell_formula_units_Z [1]
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  0.5479  0.0144  0.9797  1
  P  P1  1  0.7945  0.5934  0.8177  1
  H  H2  1  0.0525  0.0432  0.2233  1
  H  H3  1  0.7955  0.0336  0.4126  1
  S  S4  1  0.1845  0.7586  0.0783  1
  S  S5  1  0.4410  0.2917  0.8706  1
  S  S6  1  0.6543  0.8507  0.7236  1
  S  S7  1  0.9168  0.1885  0.2813  1
]