data_BaMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2In
_chemical_formula_sum   'Ba1 Mg2 In1'
_cell_volume   129.15
_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
  Ba  Ba0  1  0.56  0.0  0.0  1.0
  Mg  Mg2  1  0.78  0.47  0.83  1.0
  Mg  Mg3  1  0.78  0.53  0.83  1.0
  In  In1  1  0.0  0.0  0.0  1.0

data_BaMg2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   108.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2In
_chemical_formula_sum   'Ba1 Mg2 In1'
_cell_volume   129.15
_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
  Ba  Ba0  1  0.0  0.56  0.0  1.0
  Mg  Mg1  1  0.83  0.78  0.47  1.0
  Mg  Mg2  1  0.83  0.78  0.53  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Ba Mg Mg In