data_Be2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   4.0
_cell_angle_alpha   131.21
_cell_angle_beta   131.21
_cell_angle_gamma   71.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BP
_chemical_formula_sum   'Be2 B1 P1'
_cell_volume   35.4
_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  Be1  1  0.65  0.0  0.62  1.0
  Be  Be2  1  0.0  0.65  0.62  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.25  1.0

data_Be2BP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   125.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2BP
_chemical_formula_sum   'Be4 B2 P2'
_cell_volume   70.8
_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  4  0.2  0.17  0.03  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.25  0.5  0.75  1.0

Be Be B P
Be Be B P 0 2 + o + 1 2 o + + 2 3 o o o 