data_[Mn4Tl2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2779]
_cell_length_b [3.2449]
_cell_length_c [5.4346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2TlIn]
_chemical_formula_sum '[Mn4 Tl2 In2]'
_cell_volume [159.4832]
_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
[
  Mn  Mn0  4  0.2481  0.0000  0.2338  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.0000  0.5000  0.0000  1
]