data_[Tb3Er12Mg3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9224]
_cell_length_b [7.9224]
_cell_length_c [19.4411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbEr4MgS8]
_chemical_formula_sum '[Tb3 Er12 Mg3 S24]'
_cell_volume [1056.7316]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.9973  1.0
  Er  Er1  9  0.0077  0.5038  0.5010  1.0
  Er  Er2  3  0.0000  0.0000  0.3748  1.0
  Mg  Mg3  3  0.0000  0.0000  0.6248  1.0
  S  S4  9  0.0196  0.5098  0.7539  1.0
  S  S5  9  0.1713  0.3426  0.5809  1.0
  S  S6  3  0.0000  0.0000  0.2416  1.0
  S  S7  3  0.0000  0.0000  0.7542  1.0
]