data_[Ca3Tb12Er3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1110]
_cell_length_b [8.1110]
_cell_length_c [19.7990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaTb4ErS8]
_chemical_formula_sum '[Ca3 Tb12 Er3 S24]'
_cell_volume [1128.0364]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.3751  1.0
  Tb  Tb1  9  0.1692  0.3384  0.8327  1.0
  Tb  Tb2  3  0.0000  0.0000  0.6247  1.0
  Er  Er3  3  0.0000  0.0000  0.0021  1.0
  S  S4  9  0.0290  0.5145  0.7523  1.0
  S  S5  9  0.1785  0.3570  0.5818  1.0
  S  S6  3  0.0000  0.0000  0.2399  1.0
  S  S7  3  0.0000  0.0000  0.7577  1.0
]