data_ZrSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.71
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   99.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbAs2
_chemical_formula_sum   'Zr1 Sb1 As2'
_cell_volume   85.41
_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  0.58  0.0  0.32  1.0
  Sb  Sb2  1  0.69  0.85  0.11  1.0
  As  As0  1  0.44  0.85  0.25  1.0
  As  As1  1  0.28  0.0  0.57  1.0

data_ZrSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.74
_cell_length_c   6.24
_cell_angle_alpha   99.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbAs2
_chemical_formula_sum   'Zr1 Sb1 As2'
_cell_volume   85.41
_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  0.42  0.68  1.0
  Sb  Sb1  1  0.15  0.31  0.89  1.0
  As  As2  1  0.0  0.72  0.43  1.0
  As  As3  1  0.15  0.56  0.75  1.0

Zr Sb As As