data_LiLaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   140.09
_cell_angle_beta   140.09
_cell_angle_gamma   57.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaMn
_chemical_formula_sum   'Li1 La1 Mn1'
_cell_volume   57.21
_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  Li1  1  0.0  0.0  0.85  1.0
  La  La0  1  0.0  0.0  0.06  1.0
  Mn  Mn2  1  0.0  0.0  0.2  1.0

data_LiLaMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   118.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaMn
_chemical_formula_sum   'Li2 La2 Mn2'
_cell_volume   114.42
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.15  1.0
  La  La1  2  0.0  0.0  0.94  1.0
  Mn  Mn2  2  0.0  0.0  0.8  1.0

Li La Mn