data_[Tm1Pu1Hf2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8253]
_cell_length_b [3.9457]
_cell_length_c [6.8923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmPu(HfAs2)2]
_chemical_formula_sum '[Tm1 Pu1 Hf2 As4]'
_cell_volume [175.2045]
_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
[
  Tm  Tm0  1  0.5000  0.5000  0.0000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Hf  Hf2  1  0.0000  0.5000  0.5000  1
  Hf  Hf3  1  0.5000  0.0000  0.5000  1
  As  As4  2  0.2471  0.0000  0.7348  1
  As  As5  2  0.2575  0.5000  0.2665  1
]