data_[Er2Mn4Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [6.4983]
_cell_length_b [11.2080]
_cell_length_c [7.8243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMn2(TlS2)3]
_chemical_formula_sum '[Er2 Mn4 Tl6 S12]'
_cell_volume [548.1254]
_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
[
  Er  Er0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3335  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1607  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2411  0.1815  0.1841  1.0
  S  S5  4  0.1969  0.5000  0.1789  1.0
]