data_ZrCoSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   136.14
_cell_angle_beta   136.14
_cell_angle_gamma   63.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoSn2
_chemical_formula_sum   'Zr1 Co1 Sn2'
_cell_volume   78.1
_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
  Zr  Zr3  1  0.0  0.05  0.33  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.05  0.0  0.33  1.0
  Sn  Sn2  1  0.0  0.0  0.66  1.0

data_ZrCoSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.48
_cell_angle_alpha   111.93
_cell_angle_beta   111.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoSn2
_chemical_formula_sum   'Zr1 Co1 Sn2'
_cell_volume   78.1
_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
  Zr  Zr0  1  0.28  0.33  0.28  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.33  0.28  0.28  1.0
  Sn  Sn3  1  0.66  0.66  0.66  1.0

Zr Co Sn Sn