data_[Tb4Tm4Mg4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8539]
_cell_length_b [7.8963]
_cell_length_c [11.1406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TbTmMgS4]
_chemical_formula_sum '[Tb4 Tm4 Mg4 S16]'
_cell_volume [690.9073]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  4  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  4  0.0000  0.2500  0.6251  1.0
  S  S3  8  0.0000  0.0125  0.2470  1.0
  S  S4  8  0.2429  0.2500  0.0071  1.0
]