data_[Sr8Er4Ge4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1982]
_cell_length_b [17.5119]
_cell_length_c [12.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ErGeS5]
_chemical_formula_sum '[Sr8 Er4 Ge4 S20]'
_cell_volume [888.8974]
_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
[
  Sr  Sr0  4  0.0000  0.1173  0.6824  1.0
  Sr  Sr1  4  0.0000  0.1248  0.3242  1.0
  Er  Er2  4  0.0000  0.2080  0.0258  1.0
  Ge  Ge3  4  0.0000  0.4455  0.4429  1.0
  S  S4  4  0.0000  0.0450  0.0272  1.0
  S  S5  4  0.0000  0.2943  0.6698  1.0
  S  S6  4  0.0000  0.3174  0.3730  1.0
  S  S7  4  0.0000  0.3560  0.0059  1.0
  S  S8  4  0.0000  0.4992  0.7729  1.0
]