data_BeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.92
_cell_angle_alpha   102.9
_cell_angle_beta   102.9
_cell_angle_gamma   90.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2
_chemical_formula_sum   'Be8 P16'
_cell_volume   379.24
_cell_formula_units_Z   8
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  0.9  0.39  0.31  1.0
  Be  Be1  1  0.87  0.87  0.94  1.0
  Be  Be2  1  0.15  0.61  0.55  1.0
  Be  Be3  1  0.39  0.39  0.96  1.0
  Be  Be4  1  0.12  0.13  0.18  1.0
  Be  Be5  1  0.41  0.87  0.33  1.0
  Be  Be6  1  0.66  0.13  0.57  1.0
  Be  Be7  1  0.64  0.61  0.2  1.0
  P  P8  1  0.83  0.89  0.9  1.0
  P  P9  1  0.96  0.89  0.86  1.0
  P  P10  1  0.39  0.32  0.88  1.0
  P  P11  1  0.16  0.13  0.16  1.0
  P  P12  1  0.65  0.64  0.13  1.0
  P  P13  1  0.89  0.36  0.38  1.0
  P  P14  1  0.38  0.87  0.35  1.0
  P  P15  1  0.9  0.87  0.92  1.0
  P  P16  1  0.71  0.11  0.62  1.0
  P  P17  1  0.14  0.55  0.64  1.0
  P  P18  1  0.39  0.36  0.89  1.0
  P  P19  1  0.63  0.13  0.59  1.0
  P  P20  1  0.58  0.11  0.65  1.0
  P  P21  1  0.14  0.68  0.64  1.0
  P  P22  1  0.14  0.64  0.62  1.0
  P  P23  1  0.39  0.45  0.88  1.0

data_BeP2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.92
_cell_angle_alpha   102.9
_cell_angle_beta   102.9
_cell_angle_gamma   90.05
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeP2
_chemical_formula_sum   'Be8 P16'
_cell_volume   379.24
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.12  0.39  0.7  1.0
  Be  Be1  2  0.14  0.87  0.07  1.0
  Be  Be2  2  0.37  0.61  0.95  1.0
  Be  Be3  2  0.4  0.13  0.32  1.0
  P  P4  2  0.11  0.87  0.09  1.0
  P  P5  2  0.13  0.36  0.63  1.0
  P  P6  2  0.13  0.45  0.62  1.0
  P  P7  2  0.13  0.32  0.62  1.0
  P  P8  2  0.31  0.11  0.4  1.0
  P  P9  2  0.37  0.13  0.34  1.0
  P  P10  2  0.38  0.64  0.88  1.0
  P  P11  2  0.44  0.11  0.36  1.0

Be Be Be Be Be Be Be Be P P P P P P P P P P P P P P P P