data_[Pm16Mg16Ga16]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.3767]
_cell_length_b [11.5423]
_cell_length_c [12.9576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [PmMgGa]
_chemical_formula_sum '[Pm16 Mg16 Ga16]'
_cell_volume [1252.8185]
_cell_formula_units_Z [16]
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  16  0.1250  0.1250  0.1250  1
  Mg  Mg1  16  0.0000  0.1262  0.5000  1
  Ga  Ga2  16  0.0000  0.0000  0.3195  1
]