data_[Nd8Ho4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0391]
_cell_length_b [13.9269]
_cell_length_c [14.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd2HoSe4]
_chemical_formula_sum '[Nd8 Ho4 Se16]'
_cell_volume [793.6469]
_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  8  0.0000  0.1308  0.0727  1.0
  Ho  Ho1  4  0.0000  0.3716  0.2500  1.0
  Se  Se2  8  0.0000  0.2192  0.6260  1.0
  Se  Se3  4  0.0000  0.0185  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]