data_[La1Mg14C1]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4789]
_cell_length_b [6.4789]
_cell_length_c [10.0514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LaMg14C]
_chemical_formula_sum '[La1 Mg14 C1]'
_cell_volume [365.3968]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  6  0.1559  0.8441  0.2817  1
  Mg  Mg2  3  0.0201  0.5100  0.0000  1
  Mg  Mg3  3  0.5091  0.0182  0.5000  1
  Mg  Mg4  2  0.6667  0.3333  0.2355  1
  C  C5  1  0.0000  0.0000  0.5000  1
]