data_[Hf6Zr4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6662]
_cell_length_b [3.7550]
_cell_length_c [7.5607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(ZrAs)2]
_chemical_formula_sum '[Hf6 Zr4 As4]'
_cell_volume [285.6480]
_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
[
  Hf  Hf0  4  0.1244  0.5000  0.4525  1.0
  Hf  Hf1  2  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  4  0.1433  0.0000  0.8058  1.0
  As  As3  4  0.1649  0.0000  0.2090  1.0
]