data_ZrAlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlSn
_chemical_formula_sum   'Zr1 Al1 Sn1'
_cell_volume   62.48
_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  Zr2  1  0.0  0.83  0.51  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.45  0.41  0.0  1.0

data_ZrAlSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.89
_cell_length_b   3.01
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrAlSn
_chemical_formula_sum   'Zr1 Al1 Sn1'
_cell_volume   62.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.83  1.0
  Al  Al1  1  0.0  0.5  0.0  1.0
  Sn  Sn2  1  0.45  0.5  0.41  1.0

Zr Al Sn