data_MgSnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   142.39
_cell_angle_beta   142.39
_cell_angle_gamma   54.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnB2
_chemical_formula_sum   'Mg1 Sn1 B2'
_cell_volume   58.99
_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  0.83  1.0
  Sn  Sn3  1  0.0  0.75  0.41  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.75  0.0  0.41  1.0

data_MgSnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   5.42
_cell_angle_alpha   108.81
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnB2
_chemical_formula_sum   'Mg1 Sn1 B2'
_cell_volume   58.99
_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  0.83  0.83  0.83  1.0
  Sn  Sn1  1  0.66  0.41  0.66  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.41  0.66  0.66  1.0

Mg Sn B B