data_NiSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbAs2
_chemical_formula_sum   'Ni1 Sb1 As2'
_cell_volume   77.04
_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  Ni2  1  0.0  0.0  0.6  1.0
  Sb  Sb3  1  0.08  0.0  0.66  1.0
  As  As0  1  0.0  0.0  0.51  1.0
  As  As1  1  0.08  0.0  0.97  1.0

data_NiSbAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiSbAs2
_chemical_formula_sum   'Ni1 Sb1 As2'
_cell_volume   77.07
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.6  1.0
  Sb  Sb1  1  0.08  0.0  0.66  1.0
  As  As2  1  0.0  0.0  0.51  1.0
  As  As3  1  0.08  0.0  0.97  1.0

Ni Sb As As