data_[La2Hf2Zn2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0363]
_cell_length_b [3.9887]
_cell_length_c [8.9661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaHfZnAs3]
_chemical_formula_sum '[La2 Hf2 Zn2 As6]'
_cell_volume [277.3309]
_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
[
  La  La0  2  0.2015  0.2500  0.2419  1.0
  Hf  Hf1  2  0.3275  0.7500  0.8522  1.0
  Zn  Zn2  2  0.0927  0.2500  0.5931  1.0
  As  As3  2  0.0978  0.2500  0.8728  1.0
  As  As4  2  0.2521  0.7500  0.5259  1.0
  As  As5  2  0.4486  0.7500  0.1645  1.0
]