data_[Er12Tm3Cu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8520]
_cell_length_b [7.8520]
_cell_length_c [19.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er4TmCuS8]
_chemical_formula_sum '[Er12 Tm3 Cu3 S24]'
_cell_volume [1025.0818]
_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  9  0.1731  0.3462  0.8317  1
  Er  Er1  3  0.0000  0.0000  0.6248  1
  Tm  Tm2  3  0.0000  0.0000  0.0051  1
  Cu  Cu3  3  0.0000  0.0000  0.3739  1
  S  S4  9  0.0058  0.5029  0.7504  1
  S  S5  9  0.1790  0.3581  0.5809  1
  S  S6  3  0.0000  0.0000  0.2481  1
  S  S7  3  0.0000  0.0000  0.7589  1
]