data_[Nd2Tm2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0995]
_cell_length_b [4.0994]
_cell_length_c [8.2714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdTmSe3]
_chemical_formula_sum '[Nd2 Tm2 Se6]'
_cell_volume [273.4985]
_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  0.3776  0.7500  0.2275  1
  Tm  Tm1  2  0.1472  0.2500  0.6722  1
  Se  Se2  2  0.0978  0.2500  0.3206  1
  Se  Se3  2  0.3126  0.2500  0.9732  1
  Se  Se4  2  0.3745  0.7500  0.6096  1
]