data_[Y6Er3In3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8489]
_cell_length_b [6.8489]
_cell_length_c [18.3135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Y2ErInS6]
_chemical_formula_sum '[Y6 Er3 In3 S18]'
_cell_volume [743.9587]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.0166  1.0
  Y  Y1  3  0.0000  0.0000  0.5192  1.0
  Er  Er2  3  0.0000  0.0000  0.3161  1.0
  In  In3  3  0.0000  0.0000  0.8141  1.0
  S  S4  9  0.0090  0.3037  0.9150  1.0
  S  S5  9  0.0116  0.7025  0.4167  1.0
]