data_LiMn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   145.81
_cell_angle_beta   128.9
_cell_angle_gamma   62.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3
_chemical_formula_sum   'Li1 Mn3'
_cell_volume   42.88
_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  0.0  0.95  1.0
  Mn  Mn2  1  0.0  1.0  0.86  1.0
  Mn  Mn3  1  0.36  0.0  0.09  1.0

data_LiMn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   3.99
_cell_length_c   4.63
_cell_angle_alpha   115.55
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3
_chemical_formula_sum   'Li1 Mn3'
_cell_volume   42.88
_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  0.09  0.73  1.0
  Mn  Mn2  1  0.0  0.95  0.95  1.0
  Mn  Mn3  1  0.0  0.86  0.86  1.0

Li Mn Mn Mn