data_ZrSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSi2As
_chemical_formula_sum   'Zr1 Si2 As1'
_cell_volume   69.82
_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  0.91  0.0  0.0  1.0
  Si  Si1  1  0.45  0.04  0.47  1.0
  Si  Si2  1  0.45  0.96  0.47  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_ZrSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   109.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSi2As
_chemical_formula_sum   'Zr1 Si2 As1'
_cell_volume   69.82
_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  0.91  0.0  1.0
  Si  Si1  1  0.47  0.45  0.04  1.0
  Si  Si2  1  0.47  0.45  0.96  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Si Si As