data_Li2MgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgP
_chemical_formula_sum   'Li2 Mg1 P1'
_cell_volume   67.62
_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  Li0  1  0.0  0.0  0.91  1.0
  Li  Li1  1  0.67  0.67  0.32  1.0
  Mg  Mg2  1  0.0  0.0  0.21  1.0
  P  P3  1  0.67  0.67  0.68  1.0

data_Li2MgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2MgP
_chemical_formula_sum   'Li4 Mg2 P2'
_cell_volume   135.25
_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  0.91  1.0
  Li  Li1  2  0.17  0.5  0.32  1.0
  Mg  Mg2  2  0.0  0.0  0.21  1.0
  P  P3  2  0.17  0.5  0.68  1.0

Li Li Mg P
Li2MgP crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent P(1) atoms. The Li(1)-Mg(1) bond length is 1.82 Å. There is one shorter (2.12 Å) and two longer (2.88 Å) Li(1)-P(1) bond lengths. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Mg(1) and one P(1) atom. The Li(2)-Mg(1) bond length is 1.68 Å. The Li(2)-P(1) bond length is 2.15 Å. Mg(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(2) atom. P(1) is bonded in a 4-coordinate geometry to one Li(2) and three equivalent Li(1) atoms.