data_[Li3Mg6Cr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0479]
_cell_length_b [3.0479]
_cell_length_c [29.9090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiMg2Cr]
_chemical_formula_sum '[Li3 Mg6 Cr3]'
_cell_volume [240.6290]
_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  0.2454  1
  Mg  Mg1  3  0.0000  0.0000  0.7561  1
  Mg  Mg2  3  0.0000  0.0000  0.9970  1
  Cr  Cr3  3  0.0000  0.0000  0.5015  1
]