data_[Li6Ca3Mg3Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5436]
_cell_length_b [6.5436]
_cell_length_c [17.9620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2CaMgCl6]
_chemical_formula_sum '[Li6 Ca3 Mg3 Cl18]'
_cell_volume [666.0790]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0150  1.0
  Li  Li1  3  0.0000  0.0000  0.5182  1.0
  Ca  Ca2  3  0.0000  0.0000  0.8177  1.0
  Mg  Mg3  3  0.0000  0.0000  0.3217  1.0
  Cl  Cl4  9  0.0056  0.3452  0.5843  1.0
  Cl  Cl5  9  0.0416  0.6858  0.0788  1.0
]