data_[Ho4Ni12P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1528]
_cell_length_b [3.7456]
_cell_length_c [6.8177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoNi3P2]
_chemical_formula_sum '[Ho4 Ni12 P8]'
_cell_volume [327.4977]
_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
[
  Ho  Ho0  4  0.1539  0.0000  0.0692  1.0
  Ni  Ni1  4  0.0427  0.0000  0.3667  1.0
  Ni  Ni2  4  0.0988  0.5000  0.6877  1.0
  Ni  Ni3  4  0.1835  0.5000  0.4341  1.0
  P  P4  4  0.0189  0.5000  0.1770  1.0
  P  P5  4  0.1889  0.0000  0.6790  1.0
]