data_Zr2NbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.6
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   99.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbAs
_chemical_formula_sum   'Zr2 Nb1 As1'
_cell_volume   80.77
_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  0.05  0.3  0.14  1.0
  Zr  Zr3  1  0.22  0.3  0.41  1.0
  Nb  Nb1  1  0.13  0.0  0.77  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Zr2NbAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.6
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   99.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbAs
_chemical_formula_sum   'Zr2 Nb1 As1'
_cell_volume   80.77
_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  0.05  0.3  0.14  1.0
  Zr  Zr1  1  0.22  0.3  0.41  1.0
  Nb  Nb2  1  0.13  0.0  0.77  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Zr Nb As