data_ZnCoSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.93
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoSn2
_chemical_formula_sum   'Zn1 Co1 Sn2'
_cell_volume   75.54
_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
  Zn  Zn3  1  0.68  0.97  0.83  1.0
  Co  Co0  1  0.0  0.0  0.43  1.0
  Sn  Sn1  1  0.68  0.97  0.43  1.0
  Sn  Sn2  1  0.0  0.0  0.63  1.0

data_ZnCoSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.93
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoSn2
_chemical_formula_sum   'Zn1 Co1 Sn2'
_cell_volume   75.54
_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
  Zn  Zn0  1  0.68  0.97  0.83  1.0
  Co  Co1  1  0.0  0.0  0.43  1.0
  Sn  Sn2  1  0.0  0.0  0.63  1.0
  Sn  Sn3  1  0.68  0.97  0.43  1.0

Zn Co Sn Sn
Zn Co Sn Sn 0 3 + + o 1 2 - - o 1 3 o o o 