data_[Ca2Hf2Zn2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [8.0395]
_cell_length_b [3.9211]
_cell_length_c [8.9003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaHfZnAs3]
_chemical_formula_sum '[Ca2 Hf2 Zn2 As6]'
_cell_volume [270.7093]
_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
[
  Ca  Ca0  2  0.1983  0.7500  0.2361  1
  Hf  Hf1  2  0.3252  0.2500  0.8475  1
  Zn  Zn2  2  0.0894  0.7500  0.5916  1
  As  As3  2  0.0989  0.7500  0.8733  1
  As  As4  2  0.2557  0.2500  0.5253  1
  As  As5  2  0.4468  0.2500  0.1655  1
]