data_[Li3Pm6Ni36P9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4541]
_cell_length_b [8.4541]
_cell_length_c [11.8119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiPm2(Ni4P)3]
_chemical_formula_sum '[Li3 Pm6 Ni36 P9]'
_cell_volume [731.1219]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Pm  Pm1  6  0.0000  0.0000  0.3458  1
  Ni  Ni2  18  0.0111  0.5055  0.6825  1
  Ni  Ni3  18  0.0141  0.5070  0.8823  1
  P  P4  9  0.0000  0.5000  0.5000  1
]