data_MgInB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   150.38
_cell_angle_beta   150.38
_cell_angle_gamma   42.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInB
_chemical_formula_sum   'Mg1 In1 B1'
_cell_volume   52.65
_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  Mg2  1  0.0  0.0  0.04  1.0
  In  In1  1  0.0  0.0  0.02  1.0
  B  B0  1  0.0  0.0  0.12  1.0

data_MgInB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   111.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInB
_chemical_formula_sum   'Mg2 In2 B2'
_cell_volume   105.3
_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  0.96  1.0
  In  In1  2  0.0  0.0  0.98  1.0
  B  B2  2  0.0  0.0  0.88  1.0

Mg In B