data_[Li4Y6Er2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  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 [6.6990]
_cell_length_b [11.6013]
_cell_length_c [6.6883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Y3ErS6]
_chemical_formula_sum '[Li4 Y6 Er2 S12]'
_cell_volume [490.0534]
_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
[
  Li  Li0  4  0.0000  0.3331  0.0000  1
  Y  Y1  4  0.0000  0.1677  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2485  0.1678  0.2415  1
  S  S5  4  0.2457  0.5000  0.2434  1
]