data_Mg3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3In5
_chemical_formula_sum   'Mg3 In5'
_cell_volume   195.03
_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  Mg5  1  0.0  0.0  0.0  1.0
  Mg  Mg6  1  0.5  0.29  0.33  1.0
  Mg  Mg7  1  0.5  0.71  0.33  1.0
  In  In0  1  0.5  0.0  0.0  1.0
  In  In1  1  0.25  0.68  0.0  1.0
  In  In2  1  0.25  0.32  0.0  1.0
  In  In3  1  0.84  0.0  0.33  1.0
  In  In4  1  0.16  0.0  0.33  1.0

data_Mg3In5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.67
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg3In5
_chemical_formula_sum   'Mg3 In5'
_cell_volume   195.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.33  0.29  0.5  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  In  In2  2  0.0  0.32  0.25  1.0
  In  In3  1  0.0  0.0  0.5  1.0
  In  In4  1  0.33  0.0  0.16  1.0
  In  In5  1  0.33  0.0  0.84  1.0

Mg Mg Mg In In In In In