data_LiMn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.75
_cell_angle_alpha   91.53
_cell_angle_beta   91.53
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Mo
_chemical_formula_sum   'Li1 Mn2 Mo1'
_cell_volume   49.41
_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
  Mn  Mn1  1  0.28  0.0  0.11  1.0
  Mn  Mn2  1  0.04  0.0  0.64  1.0
  Mo  Mo3  1  0.16  0.0  0.37  1.0

data_LiMn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.4
_cell_length_c   4.75
_cell_angle_alpha   91.53
_cell_angle_beta   90.0
_cell_angle_gamma   106.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Mo
_chemical_formula_sum   'Li1 Mn2 Mo1'
_cell_volume   49.41
_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
  Mn  Mn1  1  0.0  0.72  0.89  1.0
  Mn  Mn2  1  0.0  0.96  0.36  1.0
  Mo  Mo3  1  0.0  0.84  0.63  1.0

Li Mn Mn Mo