data_[Li2Mn1Al1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0711]
_cell_length_b [3.5255]
_cell_length_c [6.3573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2MnAlS4]
_chemical_formula_sum '[Li2 Mn1 Al1 S4]'
_cell_volume [129.2094]
_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  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.0000  1.0
  Al  Al3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2398  0.5000  0.2235  1.0
  S  S5  2  0.2516  0.0000  0.7729  1.0
]