data_[Li6Er6Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0287]
_cell_length_b [3.7511]
_cell_length_c [12.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiErNi]
_chemical_formula_sum '[Li6 Er6 Ni6]'
_cell_volume [322.6850]
_cell_formula_units_Z [6]
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
[
  Li  Li0  2  0.0129  0.2500  0.0790  1.0
  Li  Li1  2  0.1262  0.7500  0.5366  1.0
  Li  Li2  2  0.3741  0.2500  0.1985  1.0
  Er  Er3  2  0.0552  0.7500  0.2842  1.0
  Er  Er4  2  0.3425  0.2500  0.9151  1.0
  Er  Er5  2  0.4506  0.2500  0.6222  1.0
  Ni  Ni6  2  0.2402  0.7500  0.7506  1.0
  Ni  Ni7  2  0.2587  0.2500  0.4119  1.0
  Ni  Ni8  2  0.2593  0.7500  0.0758  1.0
]