data_MgBeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   7.45
_cell_angle_alpha   103.73
_cell_angle_beta   103.73
_cell_angle_gamma   58.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeSb2
_chemical_formula_sum   'Mg1 Be1 Sb2'
_cell_volume   85.69
_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  0.24  0.0  0.59  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.08  0.0  0.7  1.0
  Sb  Sb3  1  0.39  0.0  0.47  1.0

data_MgBeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.74
_cell_length_c   7.45
_cell_angle_alpha   103.73
_cell_angle_beta   90.0
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeSb2
_chemical_formula_sum   'Mg1 Be1 Sb2'
_cell_volume   85.69
_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  0.0  0.76  0.41  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.61  0.53  1.0
  Sb  Sb3  1  0.0  0.92  0.3  1.0

Mg Be Sb Sb