data_[Pr4Hf3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.4598]
_cell_length_b [3.8076]
_cell_length_c [9.8265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pr4Hf3As4]
_chemical_formula_sum '[Pr4 Hf3 As4]'
_cell_volume [276.3353]
_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
[
  Pr  Pr0  1  0.1625  0.0000  0.4628  1
  Pr  Pr1  1  0.2119  0.5000  0.8759  1
  Pr  Pr2  1  0.5778  0.0000  0.0478  1
  Pr  Pr3  1  0.8320  0.5000  0.5816  1
  Hf  Hf4  1  0.4583  0.5000  0.3010  1
  Hf  Hf5  1  0.5950  0.0000  0.7527  1
  Hf  Hf6  1  0.9445  0.5000  0.1888  1
  As  As7  1  0.2131  0.0000  0.1535  1
  As  As8  1  0.4285  0.5000  0.5882  1
  As  As9  1  0.7595  0.0000  0.3352  1
  As  As10  1  0.8150  0.5000  0.9097  1
]