data_CoNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01
_cell_length_b   8.01
_cell_length_c   8.01
_cell_angle_alpha   20.56
_cell_angle_beta   20.56
_cell_angle_gamma   20.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2Sn
_chemical_formula_sum   'Co1 Ni2 Sn1'
_cell_volume   55.45
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.51  1.0
  Ni  Ni2  1  0.0  0.0  0.01  1.0
  Sn  Sn3  1  0.0  0.0  0.76  1.0

data_CoNi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   101.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNi2Sn
_chemical_formula_sum   'Co2 Ni4 Sn2'
_cell_volume   110.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.49  1.0
  Ni  Ni2  2  0.0  0.0  0.99  1.0
  Sn  Sn3  2  0.0  0.0  0.24  1.0

Co Ni Ni Sn
Co Ni Ni Sn 0 2 o o o 0 3 o o - 1 3 o o o 2 3 o o - 