data_[La3Mg6Cr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3148]
_cell_length_b [3.3148]
_cell_length_c [31.3994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaMg2Cr]
_chemical_formula_sum '[La3 Mg6 Cr3]'
_cell_volume [298.7822]
_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
[
  La  La0  3  0.0000  0.0000  0.2436  1
  Mg  Mg1  3  0.0000  0.0000  0.0053  1
  Mg  Mg2  3  0.0000  0.0000  0.7563  1
  Cr  Cr3  3  0.0000  0.0000  0.4947  1
]