data_Li2YMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   119.63
_cell_angle_beta   119.63
_cell_angle_gamma   90.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YMn
_chemical_formula_sum   'Li2 Y1 Mn1'
_cell_volume   82.36
_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
  Li  Li1  1  0.45  0.0  0.71  1.0
  Y  Y3  1  0.0  0.45  0.71  1.0
  Mn  Mn2  1  0.0  0.0  0.43  1.0

data_Li2YMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   90.64
_cell_angle_beta   119.63
_cell_angle_gamma   119.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YMn
_chemical_formula_sum   'Li2 Y1 Mn1'
_cell_volume   82.36
_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
  Li  Li1  1  0.71  0.45  0.0  1.0
  Y  Y2  1  0.71  0.0  0.45  1.0
  Mn  Mn3  1  0.43  0.0  0.0  1.0

Li Li Y Mn