data_[Er8Mn2S14]
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 [Cm]
_cell_length_a [12.4448]
_cell_length_b [3.7679]
_cell_length_c [11.3831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er4MnS7]
_chemical_formula_sum '[Er8 Mn2 S14]'
_cell_volume [515.7917]
_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
[
  Er  Er0  2  0.0006  0.0000  0.0060  1.0
  Er  Er1  2  0.1936  0.5000  0.8018  1.0
  Er  Er2  2  0.3072  0.0000  0.2045  1.0
  Er  Er3  2  0.3862  0.5000  0.5671  1.0
  Mn  Mn4  2  0.1151  0.0000  0.4216  1.0
  S  S5  2  0.0045  0.5000  0.4963  1.0
  S  S6  2  0.0378  0.0000  0.7851  1.0
  S  S7  2  0.1614  0.5000  0.0511  1.0
  S  S8  2  0.2322  0.5000  0.3529  1.0
  S  S9  2  0.2563  0.0000  0.6402  1.0
  S  S10  2  0.3404  0.0000  0.9488  1.0
  S  S11  2  0.4646  0.5000  0.2246  1.0
]