data_[Er6In2Ag6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0386]
_cell_length_b [7.9084]
_cell_length_c [7.9240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3InAg3S8]
_chemical_formula_sum '[Er6 In2 Ag6 S16]'
_cell_volume [669.3419]
_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
[
  Er  Er0  4  0.2500  0.2500  0.0000  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  S  S5  8  0.0049  0.2439  0.2712  1.0
  S  S6  4  0.2450  0.0000  0.7536  1.0
  S  S7  4  0.2493  0.0000  0.2308  1.0
]