data_ZrSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.56
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiAs2
_chemical_formula_sum   'Zr1 Si1 As2'
_cell_volume   73.38
_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  0.39  0.0  0.87  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.14  0.78  0.28  1.0
  As  As1  1  0.23  0.78  0.46  1.0

data_ZrSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.59
_cell_length_c   5.87
_cell_angle_alpha   102.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiAs2
_chemical_formula_sum   'Zr1 Si1 As2'
_cell_volume   73.38
_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  0.61  0.13  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.22  0.77  0.54  1.0
  As  As3  1  0.22  0.86  0.72  1.0

Zr Si As As