data_[Y4Mn2Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [C2/m]
_cell_length_a [6.8985]
_cell_length_b [11.5614]
_cell_length_c [7.8827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Mn(TlS2)3]
_chemical_formula_sum '[Y4 Mn2 Tl6 S12]'
_cell_volume [597.6061]
_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
[
  Y  Y0  4  0.0000  0.3354  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1721  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2118  0.1496  0.1814  1.0
  S  S5  4  0.2424  0.5000  0.2153  1.0
]