data_MgScIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   146.4
_cell_angle_beta   131.73
_cell_angle_gamma   60.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScIn
_chemical_formula_sum   'Mg1 Sc1 In1'
_cell_volume   69.47
_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  0.38  1.0
  Sc  Sc2  1  0.0  0.0  0.21  1.0
  In  In0  1  0.0  0.0  0.58  1.0

data_MgScIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.53
_cell_length_c   5.54
_cell_angle_alpha   114.13
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScIn
_chemical_formula_sum   'Mg1 Sc1 In1'
_cell_volume   69.47
_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  0.62  0.62  0.62  1.0
  Sc  Sc1  1  0.79  0.79  0.79  1.0
  In  In2  1  0.42  0.42  0.42  1.0

Mg Sc In