data_MgIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.77
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   34.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Sn
_chemical_formula_sum   'Mg1 In2 Sn1'
_cell_volume   103.56
_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  Mg2  1  0.86  0.0  0.82  1.0
  In  In0  1  0.72  0.0  0.64  1.0
  In  In1  1  0.82  0.0  0.22  1.0
  Sn  Sn3  1  0.9  0.0  0.46  1.0

data_MgIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.68
_cell_length_c   5.77
_cell_angle_alpha   100.69
_cell_angle_beta   90.0
_cell_angle_gamma   107.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Sn
_chemical_formula_sum   'Mg1 In2 Sn1'
_cell_volume   103.56
_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  0.14  0.18  1.0
  In  In1  1  0.0  0.18  0.78  1.0
  In  In2  1  0.0  0.28  0.36  1.0
  Sn  Sn3  1  0.0  0.1  0.54  1.0

Mg In In Sn