data_CoNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.23
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   93.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiSn2
_chemical_formula_sum   'Co1 Ni1 Sn2'
_cell_volume   63.32
_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  0.81  0.0  0.13  1.0
  Sn  Sn2  1  0.26  0.62  0.71  1.0
  Sn  Sn3  1  0.48  0.62  0.55  1.0

data_CoNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.23
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   93.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiSn2
_chemical_formula_sum   'Co1 Ni1 Sn2'
_cell_volume   63.32
_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  0.81  0.0  0.13  1.0
  Sn  Sn2  1  0.26  0.62  0.71  1.0
  Sn  Sn3  1  0.48  0.62  0.55  1.0

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