data_[Li1Mg1Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6332]
_cell_length_b [3.9692]
_cell_length_c [5.2727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiMgCo2]
_chemical_formula_sum '[Li1 Mg1 Co2]'
_cell_volume [53.7649]
_cell_formula_units_Z [1]
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  1  0.5316  0.0000  0.4781  1
  Mg  Mg1  1  0.2432  0.5000  0.7544  1
  Co  Co2  1  0.7563  0.5000  0.2252  1
  Co  Co3  1  0.9689  0.0000  0.0422  1
]