data_[Cs2Er2Mn4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2]
_cell_length_a [9.0478]
_cell_length_b [9.9381]
_cell_length_c [6.8697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsErMn2S7]
_chemical_formula_sum '[Cs2 Er2 Mn4 S14]'
_cell_volume [610.0862]
_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
[
  Cs  Cs0  2  0.0000  0.8979  0.0000  1
  Er  Er1  2  0.0000  0.4876  0.5000  1
  Mn  Mn2  4  0.1869  0.1402  0.5882  1
  S  S3  4  0.1342  0.3047  0.7570  1
  S  S4  4  0.1659  0.5260  0.2113  1
  S  S5  4  0.2040  0.6777  0.6519  1
  S  S6  2  0.0000  0.0048  0.5000  1
]