data_[Ba3Pm3Mg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.4468]
_cell_length_b [10.4468]
_cell_length_c [15.3964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaPmMg17]
_chemical_formula_sum '[Ba3 Pm3 Mg51]'
_cell_volume [1455.1688]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.6636  1
  Pm  Pm1  3  0.0000  0.0000  0.3296  1
  Mg  Mg2  18  0.0036  0.2996  0.0000  1
  Mg  Mg3  9  0.0016  0.5008  0.4999  1
  Mg  Mg4  9  0.0040  0.5020  0.8482  1
  Mg  Mg5  9  0.0137  0.5069  0.1522  1
  Mg  Mg6  3  0.0000  0.0000  0.1010  1
  Mg  Mg7  3  0.0000  0.0000  0.9046  1
]