data_[Pm4Ti8Ni4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1503]
_cell_length_b [10.5906]
_cell_length_c [10.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PmTi2NiN4]
_chemical_formula_sum '[Pm4 Ti8 Ni4 N16]'
_cell_volume [354.1990]
_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
[
  Pm  Pm0  4  0.0000  0.1077  0.7500  1
  Ti  Ti1  8  0.0000  0.3674  0.5493  1
  Ni  Ni2  4  0.0000  0.1566  0.2500  1
  N  N3  8  0.0000  0.2675  0.1075  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4389  0.7500  1
]