data_[Tb2Mn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4190]
_cell_length_b [6.6021]
_cell_length_c [7.1217]
_cell_angle_alpha [87.0086]
_cell_angle_beta [88.1616]
_cell_angle_gamma [83.0733]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbMnS4]
_chemical_formula_sum '[Tb2 Mn2 S8]'
_cell_volume [299.1009]
_cell_formula_units_Z [2]
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  2  0.2031  0.7062  0.0591  1
  Mn  Mn1  2  0.3045  0.2581  0.8007  1
  S  S2  2  0.0872  0.5209  0.7417  1
  S  S3  2  0.1131  0.0202  0.7769  1
  S  S4  2  0.3810  0.2803  0.0856  1
  S  S5  2  0.4321  0.7530  0.3735  1
]