data_[Ba6Tm4U2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4225]
_cell_length_b [12.8507]
_cell_length_c [7.8577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Tm2UAs6]
_chemical_formula_sum '[Ba6 Tm4 U2 As12]'
_cell_volume [711.5799]
_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
[
  Ba  Ba0  4  0.0000  0.1707  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  4  0.0000  0.3341  0.0000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2269  0.1602  0.2011  1
  As  As5  4  0.2484  0.5000  0.2032  1
]