data_[Ho8Th4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6011]
_cell_length_b [4.0131]
_cell_length_c [9.8308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2ThP3]
_chemical_formula_sum '[Ho8 Th4 P12]'
_cell_volume [582.2238]
_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  0.1694  0.0000  0.3351  1
  Ho  Ho1  4  0.1703  0.5000  0.8357  1
  Th  Th2  2  0.0000  0.0000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.0300  0.0000  0.8053  1
  P  P5  4  0.1414  0.5000  0.5267  1
  P  P6  4  0.1961  0.5000  0.1404  1
]