data_Zn5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   6.62
_cell_angle_alpha   113.94
_cell_angle_beta   113.94
_cell_angle_gamma   28.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5As
_chemical_formula_sum   'Zn5 As1'
_cell_volume   99.83
_cell_formula_units_Z   1
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  Zn1  1  0.03  0.0  0.09  1.0
  Zn  Zn2  1  0.99  0.0  1.0  1.0
  Zn  Zn3  1  0.23  0.0  0.09  1.0
  Zn  Zn4  1  0.6  0.0  0.35  1.0
  Zn  Zn5  1  0.77  0.0  0.21  1.0
  As  As0  1  0.25  0.0  0.29  1.0

data_Zn5As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.9
_cell_length_c   6.62
_cell_angle_alpha   113.94
_cell_angle_beta   90.0
_cell_angle_gamma   104.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5As
_chemical_formula_sum   'Zn5 As1'
_cell_volume   99.83
_cell_formula_units_Z   1
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  0.0  0.01  0.0  1.0
  Zn  Zn1  1  0.0  0.23  0.79  1.0
  Zn  Zn2  1  0.0  0.4  0.65  1.0
  Zn  Zn3  1  0.0  0.77  0.91  1.0
  Zn  Zn4  1  0.0  0.97  0.91  1.0
  As  As5  1  0.0  0.75  0.71  1.0

Zn Zn Zn Zn Zn As