data_[Mg2Be4Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1852]
_cell_length_b [4.0504]
_cell_length_c [8.0045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgBe2Zn]
_chemical_formula_sum '[Mg2 Be4 Zn2]'
_cell_volume [103.2677]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.4905  1
  Be  Be1  2  0.0000  0.0000  0.0214  1
  Be  Be2  2  0.0000  0.5000  0.7255  1
  Zn  Zn3  2  0.0000  0.5000  0.2627  1
]