data_BeB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   30.71
_cell_angle_beta   30.71
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2P
_chemical_formula_sum   'Be1 B2 P1'
_cell_volume   36.6
_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  Be2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.79  1.0
  B  B1  1  0.0  0.0  0.66  1.0
  P  P3  1  0.0  0.0  0.72  1.0

data_BeB2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeB2P
_chemical_formula_sum   'Be2 B4 P2'
_cell_volume   73.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.21  1.0
  B  B2  2  0.0  0.0  0.34  1.0
  P  P3  2  0.0  0.0  0.28  1.0

Be B B P