data_MgIn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   147.34
_cell_angle_beta   125.24
_cell_angle_gamma   65.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2B
_chemical_formula_sum   'Mg1 In2 B1'
_cell_volume   82.32
_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  Mg3  1  0.0  0.64  0.58  1.0
  In  In1  1  0.0  0.64  0.27  1.0
  In  In2  1  0.0  0.0  0.43  1.0
  B  B0  1  0.0  0.0  0.22  1.0

data_MgIn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.28
_cell_length_c   5.74
_cell_angle_alpha   117.38
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2B
_chemical_formula_sum   'Mg1 In2 B1'
_cell_volume   82.32
_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  0.36  0.94  0.94  1.0
  In  In1  1  0.0  0.43  0.43  1.0
  In  In2  1  0.36  0.63  0.63  1.0
  B  B3  1  0.0  0.22  0.22  1.0

Mg In In B