data_[Ho12Sb2P6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8330]
_cell_length_b [4.0529]
_cell_length_c [8.2142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6SbP3Se2]
_chemical_formula_sum '[Ho12 Sb2 P6 Se4]'
_cell_volume [575.6466]
_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
[
  Ho  Ho0  4  0.0037  0.0000  0.7338  1.0
  Ho  Ho1  4  0.1625  0.5000  0.5952  1.0
  Ho  Ho2  4  0.1733  0.5000  0.0729  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1668  0.0000  0.8312  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1685  0.0000  0.3366  1.0
]