data_LiMn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.89
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   93.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Sn
_chemical_formula_sum   'Li1 Mn2 Sn1'
_cell_volume   65.59
_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  0.24  0.0  0.33  1.0
  Mn  Mn1  1  0.94  0.95  0.02  1.0
  Mn  Mn2  1  0.41  0.0  0.35  1.0
  Sn  Sn3  1  0.87  0.95  0.79  1.0

data_LiMn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.89
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   93.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Sn
_chemical_formula_sum   'Li1 Mn2 Sn1'
_cell_volume   65.59
_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  0.24  0.0  0.33  1.0
  Mn  Mn1  1  0.41  0.0  0.35  1.0
  Mn  Mn2  1  0.94  0.95  0.02  1.0
  Sn  Sn3  1  0.87  0.95  0.79  1.0

Li Mn Mn Sn
Li Mn Mn Sn 0 2 o o o 1 3 o o - 