data_[Li1Hf2U1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6568]
_cell_length_b [3.8644]
_cell_length_c [6.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiHf2UAs4]
_chemical_formula_sum '[Li1 Hf2 U1 As4]'
_cell_volume [168.4657]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1
  Hf  Hf1  1  0.0000  0.5000  0.5000  1
  Hf  Hf2  1  0.5000  0.0000  0.5000  1
  U  U3  1  0.0000  0.0000  0.0000  1
  As  As4  2  0.2494  0.0000  0.7420  1
  As  As5  2  0.2614  0.5000  0.2597  1
]