data_[Zn2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2296]
_cell_length_b [4.2673]
_cell_length_c [5.9061]
_cell_angle_alpha [69.1249]
_cell_angle_beta [89.0494]
_cell_angle_gamma [60.3034]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnAs]
_chemical_formula_sum '[Zn2 As2]'
_cell_volume [84.8233]
_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  1  0.3443  0.3120  0.2602  1.0
  Zn  Zn1  1  0.3792  0.7214  0.7424  1.0
  As  As2  1  0.6605  0.7313  0.1493  1.0
  As  As3  1  0.7080  0.0930  0.7051  1.0
]