data_ZrCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   127.38
_cell_angle_beta   116.4
_cell_angle_gamma   87.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Sn
_chemical_formula_sum   'Zr1 Cu2 Sn1'
_cell_volume   63.18
_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  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.39  0.64  1.0
  Cu  Cu1  1  0.01  0.0  0.65  1.0
  Sn  Sn2  1  0.0  0.0  0.29  1.0

data_ZrCu2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   63.6
_cell_angle_beta   63.69
_cell_angle_gamma   63.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Sn
_chemical_formula_sum   'Zr1 Cu2 Sn1'
_cell_volume   63.18
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.64  -0.0  0.75  1.0
  Cu  Cu2  1  0.64  0.01  0.35  1.0
  Sn  Sn3  1  0.29  0.0  0.71  1.0

Zr Cu Cu Sn