data_[Mg3Be6Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7482]
_cell_length_b [3.7482]
_cell_length_c [17.0238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgBe2Sb]
_chemical_formula_sum '[Mg3 Be6 Sb3]'
_cell_volume [207.1301]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4748  1
  Be  Be1  3  0.0000  0.0000  0.0427  1
  Be  Be2  3  0.0000  0.0000  0.7108  1
  Sb  Sb3  3  0.0000  0.0000  0.2871  1
]