data_[Pm12Mg4Ge12]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2527]
_cell_length_b [12.1636]
_cell_length_c [7.4164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3MgGe3]
_chemical_formula_sum '[Pm12 Mg4 Ge12]'
_cell_volume [744.4717]
_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  0.1639  0.5000  1
  Pm  Pm1  4  0.0000  0.2273  0.0000  1
  Pm  Pm2  4  0.1241  0.5000  0.6571  1
  Mg  Mg3  4  0.2291  0.5000  0.0941  1
  Ge  Ge4  8  0.1726  0.3348  0.3085  1
  Ge  Ge5  4  0.0600  0.0000  0.1770  1
]