data_MgInSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   3.34
_cell_angle_alpha   100.59
_cell_angle_beta   100.59
_cell_angle_gamma   115.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSn2
_chemical_formula_sum   'Mg1 In1 Sn2'
_cell_volume   105.39
_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  Mg1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.26  0.0  0.0  1.0
  Sn  Sn2  1  0.05  0.58  0.57  1.0
  Sn  Sn3  1  0.05  0.42  0.57  1.0

data_MgInSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   115.44
_cell_angle_beta   100.59
_cell_angle_gamma   100.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSn2
_chemical_formula_sum   'Mg1 In1 Sn2'
_cell_volume   105.39
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.26  0.0  1.0
  Sn  Sn2  1  0.57  0.05  0.58  1.0
  Sn  Sn3  1  0.57  0.05  0.42  1.0

Mg In Sn Sn