data_[Pa4Ta12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8538]
_cell_length_b [3.6045]
_cell_length_c [8.2386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTa3Ge2]
_chemical_formula_sum '[Pa4 Ta12 Ge8]'
_cell_volume [472.0460]
_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
[
  Ta  Ta0  4  0.0533  0.0000  0.4075  1
  Ta  Ta1  4  0.0927  0.5000  0.7048  1
  Pa  Pa2  4  0.1409  0.0000  0.0608  1
  Ta  Ta3  4  0.1833  0.5000  0.4378  1
  Ge  Ge4  4  0.0207  0.5000  0.1591  1
  Ge  Ge5  4  0.2096  0.0000  0.7246  1
]