data_ZrAl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.09
_cell_angle_alpha   99.08
_cell_angle_beta   99.08
_cell_angle_gamma   119.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2As
_chemical_formula_sum   'Zr1 Al2 As1'
_cell_volume   74.63
_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
  Zr  Zr3  1  0.72  0.0  0.0  1.0
  Al  Al0  1  0.87  0.66  0.47  1.0
  Al  Al1  1  0.87  0.34  0.47  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_ZrAl2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.34
_cell_length_c   5.41
_cell_angle_alpha   114.83
_cell_angle_beta   99.08
_cell_angle_gamma   105.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2As
_chemical_formula_sum   'Zr1 Al2 As1'
_cell_volume   74.63
_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
  Zr  Zr0  1  0.0  0.0  0.72  1.0
  Al  Al1  1  0.13  0.66  0.53  1.0
  Al  Al2  1  0.81  0.34  0.21  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Al Al As