data_[Ba4Pm4Ge6]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2674]
_cell_length_b [4.9496]
_cell_length_c [8.9359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Pm2Ge3]
_chemical_formula_sum '[Ba4 Pm4 Ge6]'
_cell_volume [493.8491]
_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
[
  Ba  Ba0  4  0.1269  0.0000  0.3610  1
  Pm  Pm1  4  0.1448  0.5000  0.9309  1
  Ge  Ge2  4  0.1870  0.0000  0.7553  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]