data_[Sr6Li2Er4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0136]
_cell_length_b [12.1355]
_cell_length_c [7.0737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Li(ErS3)2]
_chemical_formula_sum '[Sr6 Li2 Er4 S12]'
_cell_volume [568.2457]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.0000  0.1639  0.5000  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3327  0.0000  1.0
  S  S4  8  0.2446  0.1692  0.2257  1.0
  S  S5  4  0.2366  0.5000  0.2229  1.0
]