data_SrNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   3.91
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiAs2
_chemical_formula_sum   'Sr1 Ni1 As2'
_cell_volume   89.01
_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
  Sr  Sr3  1  0.92  0.0  0.38  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.57  0.95  0.61  1.0
  As  As1  1  0.27  0.95  0.16  1.0

data_SrNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.78
_cell_length_c   4.86
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiAs2
_chemical_formula_sum   'Sr1 Ni1 As2'
_cell_volume   89.01
_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
  Sr  Sr0  1  0.0  0.08  0.62  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.05  0.43  0.39  1.0
  As  As3  1  0.05  0.73  0.84  1.0

Sr Ni As As
Sr Ni As As 0 2 o - o 0 3 + - o 0 1 + o o 1 3 o - o 1 2 - - - 2 3 o o o 