data_[Er3Cr3In6S18]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5446]
_cell_length_b [6.5446]
_cell_length_c [17.6612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ErCr(InS3)2]
_chemical_formula_sum '[Er3 Cr3 In6 S18]'
_cell_volume [655.1238]
_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
[
  Er  Er0  3  0.0000  0.0000  0.3167  1.0
  Cr  Cr1  3  0.0000  0.0000  0.8230  1.0
  In  In2  3  0.0000  0.0000  0.0275  1.0
  In  In3  3  0.0000  0.0000  0.5176  1.0
  S  S4  9  0.0021  0.2878  0.9093  1.0
  S  S5  9  0.0332  0.6976  0.4163  1.0
]