data_LiBe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   132.34
_cell_angle_beta   132.34
_cell_angle_gamma   69.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2P
_chemical_formula_sum   'Li1 Be2 P1'
_cell_volume   42.34
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.73  0.0  0.76  1.0
  Be  Be1  1  0.0  0.73  0.76  1.0
  P  P3  1  0.0  0.0  0.52  1.0

data_LiBe2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   124.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBe2P
_chemical_formula_sum   'Li2 Be4 P2'
_cell_volume   84.67
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.11  0.13  0.97  1.0
  P  P2  2  0.48  0.0  0.48  1.0

Li Be Be P
Li Be Be P 0 1 - o - 0 2 o - - 0 3 o o o 0 3 o o - 1 3 + o o 2 3 o + o 
LiBe2P crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted L-shaped geometry to two equivalent Be(1) and two equivalent P(1) atoms. Both Li(1)-Be(1) bond lengths are 0.88 Å. There is one shorter (2.05 Å) and one longer (2.24 Å) Li(1)-P(1) bond length. Be(1) is bonded in a single-bond geometry to one Li(1) and two equivalent P(1) atoms. There is one shorter (1.99 Å) and one longer (2.57 Å) Be(1)-P(1) bond length. P(1) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Be(1) atoms.