data_[Tb2Ho1Mn1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5929]
_cell_length_b [6.7290]
_cell_length_c [7.0268]
_cell_angle_alpha [62.1744]
_cell_angle_beta [89.8619]
_cell_angle_gamma [62.3561]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tb2HoMnS6]
_chemical_formula_sum '[Tb2 Ho1 Mn1 S6]'
_cell_volume [234.9191]
_cell_formula_units_Z [1]
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  1  0.4805  0.0484  0.4329  1.0
  Tb  Tb1  1  0.9760  0.0511  0.9433  1.0
  Ho  Ho2  1  0.1845  0.6309  0.5481  1.0
  Mn  Mn3  1  0.6779  0.6435  0.0330  1.0
  S  S4  1  0.0554  0.1417  0.2681  1.0
  S  S5  1  0.3015  0.1357  0.7548  1.0
  S  S6  1  0.4109  0.5467  0.2377  1.0
  S  S7  1  0.5768  0.5405  0.7729  1.0
  S  S8  1  0.7873  0.7871  0.2483  1.0
  S  S9  1  0.8875  0.7975  0.7758  1.0
]