data_[Tm4Mg4Al4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9002]
_cell_length_b [7.9067]
_cell_length_c [11.2090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TmMgAlSe4]
_chemical_formula_sum '[Tm4 Mg4 Al4 Se16]'
_cell_volume [700.1623]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.7500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.2500  0.1181  1.0
  Se  Se3  8  0.0000  0.0034  0.2519  1.0
  Se  Se4  8  0.2405  0.2500  0.4992  1.0
]