data_[Pm8Mg12Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6694]
_cell_length_b [17.2065]
_cell_length_c [6.8125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pm2Mg3Ni4]
_chemical_formula_sum '[Pm8 Mg12 Ni16]'
_cell_volume [664.5583]
_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  8  0.0000  0.1028  0.4168  1
  Mg  Mg1  8  0.2500  0.2376  0.7500  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  Ni  Ni3  8  0.0000  0.1544  0.0068  1
  Ni  Ni4  8  0.2500  0.0818  0.7500  1
]