data_[Nd8Tm4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1451]
_cell_length_b [17.5224]
_cell_length_c [12.5120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2TmAgSe5]
_chemical_formula_sum '[Nd8 Tm4 Ag4 Se20]'
_cell_volume [908.7724]
_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
[
  Nd  Nd0  4  0.0000  0.3744  0.8053  1.0
  Nd  Nd1  4  0.0000  0.3900  0.1860  1.0
  Tm  Tm2  4  0.0000  0.3043  0.5094  1.0
  Ag  Ag3  4  0.0000  0.0578  0.9589  1.0
  Se  Se4  4  0.0000  0.0024  0.2727  1.0
  Se  Se5  4  0.0000  0.1420  0.5002  1.0
  Se  Se6  4  0.0000  0.1951  0.8469  1.0
  Se  Se7  4  0.0000  0.2143  0.1655  1.0
  Se  Se8  4  0.0000  0.4532  0.5793  1.0
]