data_Sr2CrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   5.32
_cell_angle_alpha   113.37
_cell_angle_beta   113.37
_cell_angle_gamma   35.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrNi
_chemical_formula_sum   'Sr2 Cr1 Ni1'
_cell_volume   112.99
_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  0.29  0.0  0.2  1.0
  Sr  Sr3  1  0.23  0.0  0.55  1.0
  Cr  Cr0  1  0.25  0.0  0.1  1.0
  Ni  Ni1  1  0.06  0.0  0.41  1.0

data_Sr2CrNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.32
_cell_length_c   6.35
_cell_angle_alpha   113.37
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrNi
_chemical_formula_sum   'Sr2 Cr1 Ni1'
_cell_volume   112.99
_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  0.2  0.29  1.0
  Sr  Sr1  1  0.0  0.55  0.23  1.0
  Cr  Cr2  1  0.0  0.1  0.25  1.0
  Ni  Ni3  1  0.0  0.41  0.06  1.0

Sr Sr Cr Ni
Sr Sr Cr Ni 0 2 o o o 1 3 o o o 