data_LiMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.32
_cell_angle_alpha   104.72
_cell_angle_beta   104.72
_cell_angle_gamma   40.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo2P
_chemical_formula_sum   'Li1 Mo2 P1'
_cell_volume   55.4
_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  0.16  1.0
  Mo  Mo1  1  0.03  0.0  0.05  1.0
  Mo  Mo2  1  0.07  0.0  0.04  1.0
  P  P3  1  0.7  0.0  1.0  1.0

data_LiMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.32
_cell_length_c   4.53
_cell_angle_alpha   104.72
_cell_angle_beta   110.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo2P
_chemical_formula_sum   'Li1 Mo2 P1'
_cell_volume   55.4
_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  0.16  0.19  1.0
  Mo  Mo1  1  0.0  0.04  0.07  1.0
  Mo  Mo2  1  0.0  0.05  0.03  1.0
  P  P3  1  0.0  1.0  0.7  1.0

Li Mo Mo P
Li Mo Mo P 0 2 o o o 0 1 o o o 1 2 o o o 1 3 - o - 2 3 - o - 