data_Mg2ScBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   141.2
_cell_angle_beta   127.01
_cell_angle_gamma   67.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScBe
_chemical_formula_sum   'Mg2 Sc1 Be1'
_cell_volume   77.76
_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  0.0  0.41  0.19  1.0
  Mg  Mg2  1  0.0  0.0  0.22  1.0
  Sc  Sc3  1  0.0  0.41  0.28  1.0
  Be  Be0  1  0.0  0.0  0.79  1.0

data_Mg2ScBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.82
_cell_length_c   5.4
_cell_angle_alpha   116.5
_cell_angle_beta   109.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScBe
_chemical_formula_sum   'Mg2 Sc1 Be1'
_cell_volume   77.76
_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  0.22  0.22  1.0
  Mg  Mg1  1  0.59  0.78  0.78  1.0
  Sc  Sc2  1  0.59  0.87  0.87  1.0
  Be  Be3  1  0.0  0.79  0.79  1.0

Mg Mg Sc Be