data_[Pm6Er2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.9698]
_cell_length_b [5.9698]
_cell_length_c [11.9995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pm3ErGe4]
_chemical_formula_sum '[Pm6 Er2 Ge8]'
_cell_volume [427.6403]
_cell_formula_units_Z [2]
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  0.5000  0.2500  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Ge  Ge3  4  0.0000  0.0000  0.2455  1
  Ge  Ge4  4  0.0000  0.5000  0.0000  1
]