data_[Er8Mn4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7573]
_cell_length_b [12.3005]
_cell_length_c [12.7740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2MnS4]
_chemical_formula_sum '[Er8 Mn4 S16]'
_cell_volume [590.3723]
_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  0.1377  0.9181  1.0
  Er  Er1  4  0.0000  0.3812  0.7157  1.0
  Mn  Mn2  4  0.0000  0.1261  0.5545  1.0
  S  S3  4  0.0000  0.0377  0.7311  1.0
  S  S4  4  0.0000  0.2102  0.3645  1.0
  S  S5  4  0.0000  0.2384  0.1047  1.0
  S  S6  4  0.0000  0.4896  0.5034  1.0
]