data_[Er2Sc4Ag6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  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 [6.6834]
_cell_length_b [11.5904]
_cell_length_c [6.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSc2(AgS2)3]
_chemical_formula_sum '[Er2 Sc4 Ag6 S12]'
_cell_volume [486.6961]
_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  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  4  0.0000  0.3324  0.0000  1.0
  Ag  Ag2  4  0.0000  0.1622  0.5000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2469  0.1724  0.2286  1.0
  S  S5  4  0.2300  0.5000  0.2299  1.0
]