data_Zr2SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SiAs
_chemical_formula_sum   'Zr2 Si1 As1'
_cell_volume   74.73
_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  Zr2  1  0.49  0.79  0.76  1.0
  Zr  Zr3  1  0.49  0.21  0.76  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.97  0.0  0.0  1.0

data_Zr2SiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   100.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SiAs
_chemical_formula_sum   'Zr2 Si1 As1'
_cell_volume   74.73
_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  0.76  0.49  0.21  1.0
  Zr  Zr1  1  0.76  0.49  0.79  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As3  1  -0.0  0.97  0.0  1.0

Zr Zr Si As
Zr Zr Si As 0 1 o + o 2 3 - o o 