data_[Pm3Ho3Ni3I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0489]
_cell_length_b [4.0489]
_cell_length_c [23.7563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmHoNiI]
_chemical_formula_sum '[Pm3 Ho3 Ni3 I3]'
_cell_volume [337.2746]
_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
[
  Pm  Pm0  3  0.0000  0.0000  0.3604  1
  Ho  Ho1  3  0.0000  0.0000  0.1470  1
  Ni  Ni2  3  0.0000  0.0000  0.7558  1
  I  I3  3  0.0000  0.0000  0.5839  1
]