data_Mg2SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.28
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SiB
_chemical_formula_sum   'Mg2 Si1 B1'
_cell_volume   57.81
_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  0.48  0.0  0.28  1.0
  Mg  Mg2  1  0.48  0.14  0.0  1.0
  Si  Si3  1  0.0  0.14  0.28  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Mg2SiB
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.28
_cell_length_b   2.97
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2SiB
_chemical_formula_sum   'Mg2 Si1 B1'
_cell_volume   57.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.5  0.28  1.0
  Mg  Mg1  1  0.14  0.5  0.0  1.0
  Si  Si2  1  0.14  0.0  0.28  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Mg Mg Si B