data_SrCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.14
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Ni
_chemical_formula_sum   'Sr1 Cu2 Ni1'
_cell_volume   72.94
_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  0.82  0.07  0.19  1.0
  Cu  Cu0  1  0.84  0.0  0.47  1.0
  Cu  Cu1  1  0.98  0.07  0.43  1.0
  Ni  Ni2  1  0.17  0.0  0.38  1.0

data_SrCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.14
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Ni
_chemical_formula_sum   'Sr1 Cu2 Ni1'
_cell_volume   72.94
_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  0.82  0.07  0.19  1.0
  Cu  Cu1  1  0.84  0.0  0.47  1.0
  Cu  Cu2  1  0.98  0.07  0.43  1.0
  Ni  Ni3  1  0.17  0.0  0.38  1.0

Sr Cu Cu Ni