data_AlZn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   151.88
_cell_angle_beta   129.67
_cell_angle_gamma   58.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2As
_chemical_formula_sum   'Al1 Zn2 As1'
_cell_volume   68.76
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.4  0.0  0.51  1.0
  Zn  Zn3  1  0.0  0.45  0.51  1.0
  As  As1  1  0.0  0.0  0.02  1.0

data_AlZn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.9
_cell_length_c   5.76
_cell_angle_alpha   115.17
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2As
_chemical_formula_sum   'Al1 Zn2 As1'
_cell_volume   68.76
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.51  0.11  1.0
  Zn  Zn2  1  0.55  0.06  0.06  1.0
  As  As3  1  0.0  0.02  0.02  1.0

Al Zn Zn As