data_ZrGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   146.56
_cell_angle_beta   128.98
_cell_angle_gamma   62.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Sn
_chemical_formula_sum   'Zr1 Ga2 Sn1'
_cell_volume   81.46
_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
  Ga  Ga0  1  0.0  0.49  0.51  1.0
  Ga  Ga1  1  0.66  0.0  0.43  1.0
  Sn  Sn2  1  0.0  0.0  0.94  1.0

data_ZrGa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.97
_cell_length_c   5.77
_cell_angle_alpha   115.51
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Sn
_chemical_formula_sum   'Zr1 Ga2 Sn1'
_cell_volume   81.46
_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
  Ga  Ga1  1  0.23  0.57  0.23  1.0
  Ga  Ga2  1  0.49  0.98  0.98  1.0
  Sn  Sn3  1  0.06  0.06  0.06  1.0

Zr Ga Ga Sn