data_Li2YMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.79
_cell_angle_alpha   112.35
_cell_angle_beta   112.35
_cell_angle_gamma   33.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YMn
_chemical_formula_sum   'Li2 Y1 Mn1'
_cell_volume   81.66
_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  0.59  0.0  0.96  1.0
  Li  Li1  1  0.57  0.0  0.43  1.0
  Y  Y3  1  0.58  0.0  0.2  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0

data_Li2YMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.79
_cell_length_c   5.78
_cell_angle_alpha   112.35
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YMn
_chemical_formula_sum   'Li2 Y1 Mn1'
_cell_volume   81.66
_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  0.43  0.57  1.0
  Li  Li1  1  0.0  0.96  0.59  1.0
  Y  Y2  1  0.0  0.2  0.58  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

Li Li Y Mn
Li Li Y Mn 0 2 o o + 0 3 + o + 1 2 o o o 