data_[La4Mg4]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.4127]
_cell_length_b [7.9123]
_cell_length_c [5.5779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LaMg]
_chemical_formula_sum '[La4 Mg4]'
_cell_volume [238.8840]
_cell_formula_units_Z [4]
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  2  0.5000  0.2666  0.1398  1
  La  La1  1  0.0000  0.0000  0.0518  1
  La  La2  1  0.5000  0.0000  0.5791  1
  Mg  Mg3  2  0.0000  0.2879  0.5421  1
  Mg  Mg4  1  0.0000  0.5000  0.0253  1
  Mg  Mg5  1  0.5000  0.5000  0.6467  1
]