data_NbCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   138.74
_cell_angle_beta   132.8
_cell_angle_gamma   64.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Sn
_chemical_formula_sum   'Nb1 Co2 Sn1'
_cell_volume   59.94
_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
  Nb  Nb2  1  0.0  0.0  0.18  1.0
  Co  Co0  1  0.0  0.0  0.44  1.0
  Co  Co1  1  0.76  0.0  0.18  1.0
  Sn  Sn3  1  0.0  0.0  0.15  1.0

data_NbCo2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.01
_cell_length_c   5.01
_cell_angle_alpha   113.6
_cell_angle_beta   110.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Sn
_chemical_formula_sum   'Nb1 Co2 Sn1'
_cell_volume   59.94
_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
  Nb  Nb0  1  0.82  0.82  0.82  1.0
  Co  Co1  1  0.56  0.56  0.56  1.0
  Co  Co2  1  0.59  0.82  0.59  1.0
  Sn  Sn3  1  0.85  0.86  0.86  1.0

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