data_[Er4Mn4Pb8S20]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9567]
_cell_length_b [17.5921]
_cell_length_c [12.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErMnPb2S5]
_chemical_formula_sum '[Er4 Mn4 Pb8 S20]'
_cell_volume [876.9999]
_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  0.1990  0.0282  1.0
  Mn  Mn1  4  0.0000  0.4447  0.4302  1.0
  Pb  Pb2  4  0.0000  0.1200  0.3275  1.0
  Pb  Pb3  4  0.0000  0.1324  0.6731  1.0
  S  S4  4  0.0000  0.0404  0.0204  1.0
  S  S5  4  0.0000  0.2962  0.6745  1.0
  S  S6  4  0.0000  0.3187  0.3801  1.0
  S  S7  4  0.0000  0.3498  0.0143  1.0
  S  S8  4  0.0000  0.4931  0.7756  1.0
]