data_[U6Tc18P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0130]
_cell_length_b [3.9050]
_cell_length_c [9.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTc3P2]
_chemical_formula_sum '[U6 Tc18 P12]'
_cell_volume [563.7144]
_cell_formula_units_Z [6]
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
[
  U  U0  4  0.1562  0.0000  0.6970  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Tc  Tc2  4  0.0410  0.0000  0.3392  1
  Tc  Tc3  4  0.1147  0.5000  0.1871  1
  Tc  Tc4  4  0.1815  0.5000  0.9657  1
  Tc  Tc5  4  0.2158  0.0000  0.3855  1
  Tc  Tc6  2  0.0000  0.5000  0.5000  1
  P  P7  4  0.0418  0.5000  0.7842  1
  P  P8  4  0.1400  0.5000  0.4534  1
  P  P9  4  0.1980  0.0000  0.1293  1
]