data_LiMn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3
_chemical_formula_sum   'Li4 Mn12'
_cell_volume   169.68
_cell_formula_units_Z   4
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  0.04  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.46  0.42  0.06  1.0
  Li  Li3  1  0.0  0.84  0.02  1.0
  Mn  Mn4  1  0.77  0.13  0.04  1.0
  Mn  Mn5  1  0.77  0.13  0.0  1.0
  Mn  Mn6  1  0.23  0.13  0.04  1.0
  Mn  Mn7  1  0.46  0.0  0.04  1.0
  Mn  Mn8  1  0.46  0.0  0.0  1.0
  Mn  Mn9  1  0.23  0.13  0.0  1.0
  Mn  Mn10  1  0.21  0.54  0.06  1.0
  Mn  Mn11  1  0.25  0.72  0.02  1.0
  Mn  Mn12  1  0.79  0.54  0.06  1.0
  Mn  Mn13  1  0.0  0.44  0.06  1.0
  Mn  Mn14  1  0.46  0.82  0.02  1.0
  Mn  Mn15  1  0.68  0.72  0.02  1.0

data_LiMn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3
_chemical_formula_sum   'Li4 Mn12'
_cell_volume   169.68
_cell_formula_units_Z   4
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
  Li  Li1  1  0.0  0.0  0.04  1.0
  Li  Li2  1  0.0  0.84  0.02  1.0
  Li  Li3  1  0.46  0.42  0.06  1.0
  Mn  Mn4  1  0.0  0.44  0.06  1.0
  Mn  Mn5  1  0.21  0.54  0.06  1.0
  Mn  Mn6  1  0.23  0.13  0.0  1.0
  Mn  Mn7  1  0.23  0.13  0.04  1.0
  Mn  Mn8  1  0.25  0.72  0.02  1.0
  Mn  Mn9  1  0.46  0.0  0.0  1.0
  Mn  Mn10  1  0.46  0.0  0.04  1.0
  Mn  Mn11  1  0.46  0.82  0.02  1.0
  Mn  Mn12  1  0.68  0.72  0.02  1.0
  Mn  Mn13  1  0.77  0.13  0.0  1.0
  Mn  Mn14  1  0.77  0.13  0.04  1.0
  Mn  Mn15  1  0.79  0.54  0.06  1.0

Li Li Li Li Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn