data_[Mg4Zr4U4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4538]
_cell_length_b [3.1664]
_cell_length_c [5.2981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgZrU]
_chemical_formula_sum '[Mg4 Zr4 U4]'
_cell_volume [266.8700]
_cell_formula_units_Z [4]
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  4  0.0688  0.5000  0.7499  1
  Zr  Zr1  4  0.0992  0.0000  0.2654  1
  U  U2  4  0.2428  0.0000  0.7909  1
]