data_[Ho1Er3C2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6694]
_cell_length_b [3.6694]
_cell_length_c [12.7726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HoEr3(CS)2]
_chemical_formula_sum '[Ho1 Er3 C2 S2]'
_cell_volume [148.9338]
_cell_formula_units_Z [1]
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
[
  Ho  Ho0  1  0.0000  0.0000  0.1038  1
  Er  Er1  1  0.0000  0.0000  0.3965  1
  Er  Er2  1  0.6667  0.3333  0.6036  1
  Er  Er3  1  0.6667  0.3333  0.8958  1
  C  C4  1  0.3333  0.6667  0.5001  1
  C  C5  1  0.3333  0.6667  0.9995  1
  S  S6  1  0.0000  0.0000  0.7500  1
  S  S7  1  0.6667  0.3333  0.2507  1
]