data_LiMo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   14.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo5
_chemical_formula_sum   'Li1 Mo5'
_cell_volume   96.35
_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  0.0  1.0
  Mo  Mo1  1  0.31  0.31  0.65  1.0
  Mo  Mo2  1  0.31  0.31  0.35  1.0
  Mo  Mo3  1  0.0  0.0  0.32  1.0
  Mo  Mo4  1  0.0  0.0  0.69  1.0
  Mo  Mo5  1  0.31  0.31  0.0  1.0

data_LiMo5
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   14.0
_cell_length_b   3.71
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   LiMo5
_chemical_formula_sum   'Li2 Mo10'
_cell_volume   192.69
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  1.0
  Mo  Mo1  4  0.32  0.0  0.0  1.0
  Mo  Mo2  4  0.35  0.0  0.31  1.0
  Mo  Mo3  2  0.0  0.0  0.31  1.0

Li Mo Mo Mo Mo Mo