data_[Li2Ca4Mg2]
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 [Cm]
_cell_length_a [12.3615]
_cell_length_b [3.6920]
_cell_length_c [5.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCa2Mg]
_chemical_formula_sum '[Li2 Ca4 Mg2]'
_cell_volume [249.0065]
_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
[
  Li  Li0  2  0.4735  0.0000  0.5083  1.0
  Ca  Ca1  2  0.0195  0.0000  0.0447  1.0
  Ca  Ca2  2  0.2295  0.0000  0.7045  1.0
  Mg  Mg3  2  0.2775  0.5000  0.2426  1.0
]