data_[Mg2Be4Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2090]
_cell_length_b [2.6666]
_cell_length_c [4.4116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgBe2Mo]
_chemical_formula_sum '[Mg2 Be4 Mo2]'
_cell_volume [102.5105]
_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  0.4804  0.0000  0.4499  1
  Be  Be1  2  0.0278  0.0000  0.9672  1
  Be  Be2  2  0.2239  0.5000  0.2744  1
  Mo  Mo3  2  0.2679  0.0000  0.8085  1
]