data_[Tm8Pa4Mo4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pa  1.5000  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4376]
_cell_length_b [11.8078]
_cell_length_c [12.0884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm2PaMoC4]
_chemical_formula_sum '[Tm8 Pa4 Mo4 C16]'
_cell_volume [490.6682]
_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
[
  Tm  Tm0  8  0.0000  0.3703  0.5385  1
  Pa  Pa1  4  0.0000  0.1054  0.7500  1
  Mo  Mo2  4  0.0000  0.1577  0.2500  1
  C  C3  8  0.0000  0.2687  0.1324  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4478  0.7500  1
]