data_MgIn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   149.66
_cell_angle_beta   149.66
_cell_angle_gamma   43.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn4
_chemical_formula_sum   'Mg1 In4'
_cell_volume   143.3
_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  Mg4  1  0.0  0.0  0.0  1.0
  In  In0  1  0.16  0.0  0.84  1.0
  In  In1  1  0.0  0.0  0.18  1.0
  In  In2  1  0.0  0.0  0.16  1.0
  In  In3  1  0.0  0.16  0.84  1.0

data_MgIn4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIn4
_chemical_formula_sum   'Mg2 In8'
_cell_volume   286.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  In  In1  4  0.08  0.08  0.33  1.0
  In  In2  2  0.0  0.0  0.82  1.0
  In  In3  2  0.0  0.0  0.84  1.0

Mg In In In In