data_[Sc2U6As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.0302]
_cell_length_b [8.0819]
_cell_length_c [6.9736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ScU3As4]
_chemical_formula_sum '[Sc2 U6 As8]'
_cell_volume [373.2983]
_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
[
  Sc  Sc0  2  0.0000  0.1227  0.2500  1
  U  U1  2  0.0000  0.3730  0.7500  1
  U  U2  2  0.5000  0.1240  0.7500  1
  U  U3  2  0.5000  0.3744  0.2500  1
  As  As4  4  0.2407  0.1200  0.9994  1
  As  As5  4  0.2434  0.3693  0.4942  1
]