data_[Ce2Mg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.8863]
_cell_length_b [3.1350]
_cell_length_c [7.7207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeMg5]
_chemical_formula_sum '[Ce2 Mg10]'
_cell_volume [301.9160]
_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
[
  Ce  Ce0  2  0.3875  0.0000  0.2741  1.0
  Mg  Mg1  2  0.0056  0.0000  0.9946  1.0
  Mg  Mg2  2  0.0604  0.0000  0.6203  1.0
  Mg  Mg3  2  0.1625  0.5000  0.3364  1.0
  Mg  Mg4  2  0.2170  0.5000  0.9359  1.0
  Mg  Mg5  2  0.3336  0.0000  0.6719  1.0
]