data_Mg6GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   59.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6GaSn
_chemical_formula_sum   'Mg6 Ga1 Sn1'
_cell_volume   179.21
_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
  Mg  Mg0  1  0.66  0.53  0.35  1.0
  Mg  Mg1  1  0.66  0.47  0.35  1.0
  Mg  Mg2  1  0.66  0.0  0.61  1.0
  Mg  Mg3  1  0.0  0.55  0.51  1.0
  Mg  Mg4  1  0.0  0.45  0.51  1.0
  Mg  Mg5  1  0.0  0.0  0.81  1.0
  Ga  Ga6  1  0.0  0.0  0.19  1.0
  Sn  Sn7  1  0.66  0.0  0.04  1.0

data_Mg6GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   6.21
_cell_length_c   6.25
_cell_angle_alpha   119.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6GaSn
_chemical_formula_sum   'Mg6 Ga1 Sn1'
_cell_volume   179.21
_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
  Mg  Mg0  1  -0.0  0.51  0.06  1.0
  Mg  Mg1  1  0.0  0.81  0.81  1.0
  Mg  Mg2  1  0.0  0.51  0.96  1.0
  Mg  Mg3  1  0.34  0.35  0.88  1.0
  Mg  Mg4  1  0.34  0.61  0.61  1.0
  Mg  Mg5  1  0.34  0.35  0.82  1.0
  Ga  Ga6  1  0.0  0.19  0.19  1.0
  Sn  Sn7  1  0.34  0.04  0.04  1.0

Mg Mg Mg Mg Mg Mg Ga Sn
Mg Mg Mg Mg Mg Mg Ga Sn 0 1 o o o 0 7 o + o 1 2 o o o 2 5 + o o 2 7 o o + 3 4 o o o 3 6 o + o 4 5 o o o 5 7 - o + 5 6 o o + 6 7 - o o 