data_[La2Mg28Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.2643]
_cell_length_b [6.0666]
_cell_length_c [11.8612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaMg14Ni]
_chemical_formula_sum '[La2 Mg28 Ni2]'
_cell_volume [738.5920]
_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  0.6937  1.0
  Mg  Mg1  8  0.2469  0.2466  0.0757  1.0
  Mg  Mg2  4  0.0000  0.2452  0.4193  1.0
  Mg  Mg3  4  0.2321  0.0000  0.8352  1.0
  Mg  Mg4  4  0.2966  0.0000  0.3069  1.0
  Mg  Mg5  4  0.5000  0.2383  0.9483  1.0
  Mg  Mg6  2  0.0000  0.0000  0.1720  1.0
  Mg  Mg7  2  0.0000  0.0000  0.6665  1.0
  Ni  Ni8  2  0.5000  0.0000  0.1455  1.0
]