data_[Zn5As5]
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 [Pm]
_cell_length_a [4.7447]
_cell_length_b [5.1355]
_cell_length_c [7.8256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnAs]
_chemical_formula_sum '[Zn5 As5]'
_cell_volume [181.7785]
_cell_formula_units_Z [5]
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  0.0416  0.0000  0.0130  1
  Zn  Zn1  1  0.2332  0.0000  0.3870  1
  Zn  Zn2  1  0.4436  0.5000  0.8031  1
  Zn  Zn3  1  0.5535  0.5000  0.1989  1
  Zn  Zn4  1  0.8427  0.5000  0.5990  1
  As  As5  1  0.0219  0.5000  0.9546  1
  As  As6  1  0.2698  0.5000  0.4475  1
  As  As7  1  0.4329  0.0000  0.7883  1
  As  As8  1  0.6541  0.0000  0.2073  1
  As  As9  1  0.8400  0.0000  0.6013  1
]