data_[Li18Ho6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7507]
_cell_length_b [3.8836]
_cell_length_c [9.7931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3HoP2]
_chemical_formula_sum '[Li18 Ho6 P12]'
_cell_volume [587.7436]
_cell_formula_units_Z [6]
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
[
  Li  Li0  4  0.0497  0.0000  0.3400  1
  Li  Li1  4  0.1231  0.5000  0.2339  1
  Li  Li2  4  0.1826  0.5000  0.9913  1
  Li  Li3  4  0.2097  0.0000  0.4095  1
  Li  Li4  2  0.0000  0.5000  0.5000  1
  Ho  Ho5  4  0.1646  0.0000  0.7193  1
  Ho  Ho6  2  0.0000  0.0000  0.0000  1
  P  P7  4  0.0447  0.5000  0.8120  1
  P  P8  4  0.1423  0.5000  0.4980  1
  P  P9  4  0.1952  0.0000  0.1521  1
]