data_Sr2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.31
_cell_angle_alpha   95.03
_cell_angle_beta   95.03
_cell_angle_gamma   43.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuNi
_chemical_formula_sum   'Sr2 Cu1 Ni1'
_cell_volume   98.31
_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  0.59  0.0  0.53  1.0
  Sr  Sr3  1  0.55  0.0  0.68  1.0
  Cu  Cu0  1  0.91  0.0  0.71  1.0
  Ni  Ni1  1  0.23  0.0  0.52  1.0

data_Sr2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.31
_cell_length_c   5.78
_cell_angle_alpha   95.03
_cell_angle_beta   111.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuNi
_chemical_formula_sum   'Sr2 Cu1 Ni1'
_cell_volume   98.31
_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  0.53  0.59  1.0
  Sr  Sr1  1  0.0  0.68  0.55  1.0
  Cu  Cu2  1  0.0  0.71  0.91  1.0
  Ni  Ni3  1  0.0  0.52  0.23  1.0

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