data_[La2Tm2Sc2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9929]
_cell_length_b [4.0522]
_cell_length_c [9.8818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTmScSe3]
_chemical_formula_sum '[La2 Tm2 Sc2 Se6]'
_cell_volume [307.6740]
_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
[
  La  La0  2  0.1930  0.7500  0.2214  1
  Tm  Tm1  2  0.3324  0.2500  0.9037  1
  Sc  Sc2  2  0.1533  0.7500  0.6195  1
  Se  Se3  2  0.0917  0.7500  0.8858  1
  Se  Se4  2  0.2079  0.2500  0.4612  1
  Se  Se5  2  0.4897  0.2500  0.2014  1
]