data_[Er4Mn4Sn8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9099]
_cell_length_b [17.8133]
_cell_length_c [12.7653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErMnSn2S5]
_chemical_formula_sum '[Er4 Mn4 Sn8 S20]'
_cell_volume [889.0741]
_cell_formula_units_Z [4]
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  0.0000  0.1941  0.0275  1.0
  Mn  Mn1  4  0.0000  0.4440  0.4202  1.0
  Sn  Sn2  4  0.0000  0.1196  0.3333  1.0
  Sn  Sn3  4  0.0000  0.1496  0.6698  1.0
  S  S4  4  0.0000  0.0386  0.0099  1.0
  S  S5  4  0.0000  0.2994  0.6757  1.0
  S  S6  4  0.0000  0.3179  0.3817  1.0
  S  S7  4  0.0000  0.3442  0.0247  1.0
  S  S8  4  0.0000  0.4782  0.7810  1.0
]