data_Li2GaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaP
_chemical_formula_sum   'Li2 Ga1 P1'
_cell_volume   60.04
_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  Li1  1  0.36  0.36  0.29  1.0
  Li  Li2  1  0.36  0.36  0.82  1.0
  Ga  Ga0  1  0.0  0.0  0.06  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Li2GaP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2GaP
_chemical_formula_sum   'Li4 Ga2 P2'
_cell_volume   120.09
_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  0.36  0.0  0.29  1.0
  Li  Li1  2  0.36  0.0  0.82  1.0
  Ga  Ga2  2  0.0  0.0  0.06  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Li Li Ga P
Li Li Ga P 0 3 o o o 0 3 o + o 0 3 + o o 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 1 3 o o + 1 3 o + + 1 3 + o + 1 2 o o + 1 2 o + + 1 2 + o + 1 1 + o o 1 1 o + o 2 3 o o o 