data_NiAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.39
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   93.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAs2Au
_chemical_formula_sum   'Ni1 As2 Au1'
_cell_volume   66.65
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.41  0.7  0.24  1.0
  As  As1  1  0.67  0.7  0.49  1.0
  Au  Au2  1  0.83  0.0  0.86  1.0

data_NiAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.43
_cell_length_c   5.74
_cell_angle_alpha   93.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAs2Au
_chemical_formula_sum   'Ni1 As2 Au1'
_cell_volume   66.65
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.3  0.33  0.51  1.0
  As  As2  1  0.3  0.59  0.76  1.0
  Au  Au3  1  0.0  0.17  0.14  1.0

Ni As As Au