data_MgInSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   5.75
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSn2
_chemical_formula_sum   'Mg1 In1 Sn2'
_cell_volume   105.42
_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  0.51  0.0  0.32  1.0
  In  In0  1  0.72  0.87  0.72  1.0
  Sn  Sn2  1  0.08  0.87  0.03  1.0
  Sn  Sn3  1  0.73  0.0  0.01  1.0

data_MgInSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.38
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSn2
_chemical_formula_sum   'Mg1 In1 Sn2'
_cell_volume   105.42
_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  0.49  0.68  0.0  1.0
  In  In1  1  0.28  0.28  0.13  1.0
  Sn  Sn2  1  0.27  0.99  0.0  1.0
  Sn  Sn3  1  0.92  0.97  0.13  1.0

Mg In Sn Sn