data_[Mn2Tl2Ga2Se6]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0155]
_cell_length_b [3.8782]
_cell_length_c [11.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlGaSe3]
_chemical_formula_sum '[Mn2 Tl2 Ga2 Se6]'
_cell_volume [342.4143]
_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  2  0.4439  0.7500  0.1061  1.0
  Tl  Tl1  2  0.0198  0.2500  0.7294  1.0
  Ga  Ga2  2  0.4648  0.2500  0.3776  1.0
  Se  Se3  2  0.2622  0.2500  0.1784  1.0
  Se  Se4  2  0.3179  0.7500  0.8745  1.0
  Se  Se5  2  0.3303  0.2500  0.5486  1.0
]