data_[Sr8Tm4Ga4Se20]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0996]
_cell_length_b [18.6796]
_cell_length_c [12.8819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TmGaSe5]
_chemical_formula_sum '[Sr8 Tm4 Ga4 Se20]'
_cell_volume [986.4742]
_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
[
  Sr  Sr0  4  0.0000  0.1192  0.6824  1.0
  Sr  Sr1  4  0.0000  0.1253  0.3230  1.0
  Tm  Tm2  4  0.0000  0.2075  0.0257  1.0
  Ga  Ga3  4  0.0000  0.4408  0.4323  1.0
  Se  Se4  4  0.0000  0.0473  0.0427  1.0
  Se  Se5  4  0.0000  0.2933  0.6732  1.0
  Se  Se6  4  0.0000  0.3143  0.3697  1.0
  Se  Se7  4  0.0000  0.3539  0.0052  1.0
  Se  Se8  4  0.0000  0.4990  0.7698  1.0
]