data_[Nd2Y6Tm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8186]
_cell_length_b [4.0649]
_cell_length_c [8.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdY3(TmSe3)2]
_chemical_formula_sum '[Nd2 Y6 Tm4 Se12]'
_cell_volume [580.3375]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.0000  1.0
  Y  Y1  4  0.1605  0.0000  0.8349  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  4  0.1639  0.0000  0.3291  1.0
  Se  Se4  4  0.0034  0.0000  0.2611  1.0
  Se  Se5  4  0.1696  0.5000  0.5807  1.0
  Se  Se6  4  0.1728  0.5000  0.0926  1.0
]