data_[Gd2Ho2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.4299]
_cell_length_b [3.6973]
_cell_length_c [14.9213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [GdHoSe3]
_chemical_formula_sum '[Gd2 Ho2 Se6]'
_cell_volume [1016.7521]
_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
[
  Gd  Gd0  2  0.5000  0.4428  0.1005  1
  Ho  Ho1  2  0.5000  0.4426  0.3892  1
  Se  Se2  4  0.4069  0.0011  0.9923  1
  Se  Se3  2  0.5000  0.0441  0.7465  1
]