data_[Nd2Tm1Th1Se4]
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
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2068]
_cell_length_b [4.1268]
_cell_length_c [7.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd2TmThSe4]
_chemical_formula_sum '[Nd2 Tm1 Th1 Se4]'
_cell_volume [205.7779]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Nd  Nd1  1  0.5000  0.5000  0.0000  1
  Tm  Tm2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.0000  0.5000  0.5000  1
  Se  Se4  2  0.2358  0.5000  0.2361  1
  Se  Se5  2  0.2433  0.0000  0.7576  1
]