data_[Ho2Mn2Tl2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7726]
_cell_length_b [4.0470]
_cell_length_c [9.4873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoMnTlS3]
_chemical_formula_sum '[Ho2 Mn2 Tl2 S6]'
_cell_volume [322.8847]
_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
[
  Ho  Ho0  2  0.3342  0.7500  0.8591  1.0
  Mn  Mn1  2  0.0791  0.2500  0.6159  1.0
  Tl  Tl2  2  0.2090  0.2500  0.2189  1.0
  S  S3  2  0.1234  0.2500  0.8704  1.0
  S  S4  2  0.1969  0.7500  0.5479  1.0
  S  S5  2  0.4600  0.7500  0.1536  1.0
]