data_CoCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   129.77
_cell_angle_beta   129.77
_cell_angle_gamma   73.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Sn
_chemical_formula_sum   'Co1 Cu2 Sn1'
_cell_volume   54.54
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.93  0.0  0.82  1.0
  Cu  Cu2  1  0.0  0.0  0.65  1.0
  Sn  Sn3  1  0.0  0.93  0.82  1.0

data_CoCu2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   4.56
_cell_angle_alpha   115.11
_cell_angle_beta   115.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Sn
_chemical_formula_sum   'Co1 Cu2 Sn1'
_cell_volume   54.54
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.65  0.65  0.65  1.0
  Cu  Cu2  1  0.82  0.89  0.89  1.0
  Sn  Sn3  1  0.89  0.82  0.89  1.0

Co Cu Cu Sn