data_[La2Mg28Zr2]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4480]
_cell_length_b [6.4027]
_cell_length_c [11.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaMg14Zr]
_chemical_formula_sum '[La2 Mg28 Zr2]'
_cell_volume [770.8701]
_cell_formula_units_Z [2]
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  0.0000  0.6680  1
  Mg  Mg1  8  0.2435  0.2441  0.0821  1
  Mg  Mg2  4  0.0000  0.2498  0.4170  1
  Mg  Mg3  4  0.2432  0.0000  0.8362  1
  Mg  Mg4  4  0.2522  0.0000  0.3320  1
  Mg  Mg5  4  0.5000  0.2485  0.9181  1
  Mg  Mg6  2  0.0000  0.0000  0.1670  1
  Mg  Mg7  2  0.0000  0.0000  0.6668  1
  Zr  Zr8  2  0.5000  0.0000  0.1632  1
]