data_Zn4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   147.99
_cell_angle_beta   147.99
_cell_angle_gamma   45.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4As
_chemical_formula_sum   'Zn4 As1'
_cell_volume   85.68
_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  0.86  0.0  0.1  1.0
  Zn  Zn2  1  0.0  0.86  0.1  1.0
  Zn  Zn3  1  0.0  0.0  0.43  1.0
  Zn  Zn4  1  0.0  0.0  0.98  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Zn4As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   112.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn4As
_chemical_formula_sum   'Zn8 As2'
_cell_volume   171.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.17  0.07  0.24  1.0
  Zn  Zn1  2  0.43  0.0  0.43  1.0
  Zn  Zn2  2  0.48  0.5  0.98  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Zn Zn Zn Zn As
Zn Zn Zn Zn As 0 1 + - o 0 2 + o o 1 2 o + o 3 4 o o + 