data_[Nd2Ho10Se12]
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 [C2/m]
_cell_length_a [7.0447]
_cell_length_b [12.2771]
_cell_length_c [7.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHo5Se6]
_chemical_formula_sum '[Nd2 Ho10 Se12]'
_cell_volume [578.3472]
_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  0.0000  0.0000  1
  Ho  Ho1  4  0.0000  0.1591  0.5000  1
  Ho  Ho2  4  0.0000  0.3348  0.0000  1
  Ho  Ho3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2425  0.3277  0.7430  1
  Se  Se5  4  0.2403  0.5000  0.2514  1
]