data_[Er8Cr2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3564]
_cell_length_b [3.7679]
_cell_length_c [11.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er4CrS7]
_chemical_formula_sum '[Er8 Cr2 S14]'
_cell_volume [505.5521]
_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  0.0012  0.0000  0.0067  1.0
  Er  Er1  2  0.1934  0.5000  0.8026  1.0
  Er  Er2  2  0.3062  0.0000  0.2059  1.0
  Er  Er3  2  0.3867  0.5000  0.5640  1.0
  Cr  Cr4  2  0.1148  0.0000  0.4247  1.0
  S  S5  2  0.0072  0.5000  0.4951  1.0
  S  S6  2  0.0362  0.0000  0.7848  1.0
  S  S7  2  0.1633  0.5000  0.0518  1.0
  S  S8  2  0.2291  0.5000  0.3527  1.0
  S  S9  2  0.2522  0.0000  0.6341  1.0
  S  S10  2  0.3405  0.0000  0.9478  1.0
  S  S11  2  0.4692  0.5000  0.2300  1.0
]