data_Li2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   32.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MoP
_chemical_formula_sum   'Li2 Mo1 P1'
_cell_volume   58.73
_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  0.7  0.0  0.96  1.0
  Li  Li1  1  0.0  0.0  0.72  1.0
  Mo  Mo2  1  0.7  0.0  0.97  1.0
  P  P3  1  0.0  0.0  0.24  1.0

data_Li2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.4
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   106.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MoP
_chemical_formula_sum   'Li2 Mo1 P1'
_cell_volume   58.73
_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  0.04  0.7  0.04  1.0
  Li  Li1  1  0.28  0.0  0.28  1.0
  Mo  Mo2  1  0.03  0.7  0.03  1.0
  P  P3  1  0.76  0.0  0.76  1.0

Li Li Mo P