data_[Li8Ca8Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0273]
_cell_length_b [4.9090]
_cell_length_c [11.3785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ca2Mg]
_chemical_formula_sum '[Li8 Ca8 Mg4]'
_cell_volume [591.1009]
_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
[
  Li  Li0  4  0.0152  0.0000  0.8835  1.0
  Li  Li1  4  0.1298  0.0000  0.5683  1.0
  Ca  Ca2  4  0.0053  0.5000  0.6815  1.0
  Ca  Ca3  4  0.1906  0.5000  0.1078  1.0
  Mg  Mg4  4  0.2233  0.0000  0.3742  1.0
]