data_[Sr4Tm2U2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1819]
_cell_length_b [7.7532]
_cell_length_c [12.7217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2TmUSe6]
_chemical_formula_sum '[Sr4 Tm2 U2 Se12]'
_cell_volume [586.4734]
_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  4  0.2831  0.0886  0.2516  1
  Tm  Tm1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.1324  0.0308  0.7476  1
  Se  Se4  4  0.2415  0.6956  0.5598  1
  Se  Se5  4  0.3687  0.1900  0.5579  1
]