data_[Tm2Mn2In2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1080]
_cell_length_b [4.1181]
_cell_length_c [10.6091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmMnInSe3]
_chemical_formula_sum '[Tm2 Mn2 In2 Se6]'
_cell_volume [336.4165]
_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
[
  Tm  Tm0  2  0.1872  0.2500  0.6373  1
  Mn  Mn1  2  0.4294  0.7500  0.8865  1
  In  In2  2  0.2314  0.7500  0.2122  1
  Se  Se3  2  0.0557  0.2500  0.3607  1
  Se  Se4  2  0.2668  0.2500  0.9299  1
  Se  Se5  2  0.4352  0.7500  0.6553  1
]