data_[Pm12Mg4Ni12]
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 [C2/m]
_cell_length_a [8.7292]
_cell_length_b [10.2696]
_cell_length_c [6.8565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3MgNi3]
_chemical_formula_sum '[Pm12 Mg4 Ni12]'
_cell_volume [614.6084]
_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  0.1682  0.5000  1
  Pm  Pm1  4  0.0000  0.2502  0.0000  1
  Pm  Pm2  4  0.1534  0.5000  0.3582  1
  Mg  Mg3  4  0.2488  0.5000  0.8559  1
  Ni  Ni4  8  0.2342  0.2684  0.6998  1
  Ni  Ni5  4  0.0659  0.0000  0.8281  1
]