data_[Sr2Li2Tm2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8903]
_cell_length_b [4.1185]
_cell_length_c [9.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLiTmSe3]
_chemical_formula_sum '[Sr2 Li2 Tm2 Se6]'
_cell_volume [306.8833]
_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
[
  Sr  Sr0  2  0.2484  0.2500  0.2931  1
  Li  Li1  2  0.0862  0.2500  0.5887  1
  Tm  Tm2  2  0.3085  0.7500  0.8450  1
  Se  Se3  2  0.0653  0.2500  0.8379  1
  Se  Se4  2  0.2522  0.7500  0.5426  1
  Se  Se5  2  0.4357  0.7500  0.1444  1
]