data_[Li18Dy6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7724]
_cell_length_b [3.8969]
_cell_length_c [9.8093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3DyP2]
_chemical_formula_sum '[Li18 Dy6 P12]'
_cell_volume [591.5920]
_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  0.0500  0.0000  0.3400  1
  Li  Li1  4  0.1230  0.5000  0.2335  1
  Li  Li2  4  0.1825  0.5000  0.9912  1
  Li  Li3  4  0.2097  0.0000  0.4091  1
  Li  Li4  2  0.0000  0.5000  0.5000  1
  Dy  Dy5  4  0.1646  0.0000  0.7190  1
  Dy  Dy6  2  0.0000  0.0000  0.0000  1
  P  P7  4  0.0447  0.5000  0.8114  1
  P  P8  4  0.1424  0.5000  0.4970  1
  P  P9  4  0.1948  0.0000  0.1516  1
]