data_BeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   163.31
_cell_angle_beta   159.39
_cell_angle_gamma   26.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2
_chemical_formula_sum   'Be2 P4'
_cell_volume   77.85
_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  0.0  0.82  0.59  1.0
  Be  Be1  1  0.33  0.82  0.33  1.0
  P  P2  1  0.33  0.18  0.01  1.0
  P  P3  1  0.0  0.46  0.91  1.0
  P  P4  1  0.33  0.18  0.58  1.0
  P  P5  1  0.0  0.46  0.34  1.0

data_BeP2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.66
_cell_length_b   3.28
_cell_length_c   9.17
_cell_angle_alpha   100.31
_cell_angle_beta   98.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeP2
_chemical_formula_sum   'Be2 P4'
_cell_volume   77.85
_cell_formula_units_Z   2
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  0.21  0.87  0.21  1.0
  P  P1  2  0.12  0.81  0.48  1.0
  P  P2  2  0.45  0.76  0.09  1.0

Be Be P P P P