data_[Zn8Sb2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0253]
_cell_length_b [5.9399]
_cell_length_c [6.2267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn4SbAs]
_chemical_formula_sum '[Zn8 Sb2 As2]'
_cell_volume [254.4564]
_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
[
  Zn  Zn0  8  0.2449  0.2840  0.7277  1
  Sb  Sb1  2  0.0000  0.5000  0.0000  1
  As  As2  2  0.0000  0.0000  0.5000  1
]