data_ZrAlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   4.95
_cell_angle_alpha   90.48
_cell_angle_beta   90.48
_cell_angle_gamma   37.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlAs2
_chemical_formula_sum   'Zr1 Al1 As2'
_cell_volume   80.11
_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  0.87  0.0  0.48  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.56  0.0  0.47  1.0
  As  As2  1  0.18  0.0  0.48  1.0

data_ZrAlAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.95
_cell_length_c   5.16
_cell_angle_alpha   90.48
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlAs2
_chemical_formula_sum   'Zr1 Al1 As2'
_cell_volume   80.11
_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  0.48  0.87  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.47  0.56  1.0
  As  As3  1  0.0  0.48  0.18  1.0

Zr Al As As