data_[Zn2Sb4As2]
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 [Cm]
_cell_length_a [12.2729]
_cell_length_b [3.8981]
_cell_length_c [4.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnSb2As]
_chemical_formula_sum '[Zn2 Sb4 As2]'
_cell_volume [195.1847]
_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  2  0.0085  0.5000  0.2548  1
  Sb  Sb1  2  0.2575  0.0000  0.0434  1
  Sb  Sb2  2  0.4952  0.5000  0.7427  1
  As  As3  2  0.2388  0.5000  0.4592  1
]