data_Sr2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.48
_cell_angle_alpha   106.28
_cell_angle_beta   106.28
_cell_angle_gamma   58.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuNi
_chemical_formula_sum   'Sr2 Cu1 Ni1'
_cell_volume   117.95
_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  Sr2  1  0.19  0.0  0.66  1.0
  Sr  Sr3  1  0.13  0.0  0.43  1.0
  Cu  Cu0  1  0.66  0.0  0.54  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Sr2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.42
_cell_length_c   7.48
_cell_angle_alpha   106.28
_cell_angle_beta   90.0
_cell_angle_gamma   119.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuNi
_chemical_formula_sum   'Sr2 Cu1 Ni1'
_cell_volume   117.95
_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  0.81  0.34  1.0
  Sr  Sr1  1  0.0  0.87  0.57  1.0
  Cu  Cu2  1  0.0  0.34  0.46  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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