data_LiMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.08
_cell_angle_alpha   97.49
_cell_angle_beta   97.49
_cell_angle_gamma   39.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoP2
_chemical_formula_sum   'Li1 Mo1 P2'
_cell_volume   56.45
_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  0.19  0.0  0.49  1.0
  Mo  Mo1  1  0.11  0.0  0.62  1.0
  P  P2  1  0.45  0.0  0.36  1.0
  P  P3  1  0.57  0.0  0.59  1.0

data_LiMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.08
_cell_length_c   4.7
_cell_angle_alpha   97.49
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoP2
_chemical_formula_sum   'Li1 Mo1 P2'
_cell_volume   56.45
_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  0.49  0.19  1.0
  Mo  Mo1  1  0.0  0.62  0.11  1.0
  P  P2  1  0.0  0.36  0.45  1.0
  P  P3  1  0.0  0.59  0.57  1.0

Li Mo P P