data_[Tb4Tc20P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9769]
_cell_length_b [12.7125]
_cell_length_c [11.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbTc5P3]
_chemical_formula_sum '[Tb4 Tc20 P12]'
_cell_volume [581.1511]
_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
[
  Tb  Tb0  4  0.0000  0.1751  0.2500  1
  Tc  Tc1  8  0.0000  0.1937  0.5631  1
  Tc  Tc2  8  0.0000  0.4588  0.1464  1
  Tc  Tc3  4  0.0000  0.0000  0.0000  1
  P  P4  8  0.0000  0.3735  0.5515  1
  P  P5  4  0.0000  0.1289  0.7500  1
]