data_[Sr8Tm4Zn4Se20]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1295]
_cell_length_b [18.4573]
_cell_length_c [12.7061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TmZnSe5]
_chemical_formula_sum '[Sr8 Tm4 Zn4 Se20]'
_cell_volume [968.4412]
_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  0.1168  0.6877  1
  Sr  Sr1  4  0.0000  0.1240  0.3242  1
  Tm  Tm2  4  0.0000  0.2050  0.0200  1
  Zn  Zn3  4  0.0000  0.4403  0.4362  1
  Se  Se4  4  0.0000  0.0483  0.0421  1
  Se  Se5  4  0.0000  0.2958  0.6711  1
  Se  Se6  4  0.0000  0.3089  0.3656  1
  Se  Se7  4  0.0000  0.3548  0.0091  1
  Se  Se8  4  0.0000  0.4982  0.7681  1
]