data_[Li1Mn4Ni15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5582]
_cell_length_b [3.5582]
_cell_length_c [17.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiMn4Ni15]
_chemical_formula_sum '[Li1 Mn4 Ni15]'
_cell_volume [224.7551]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.1969  1
  Mn  Mn2  2  0.0000  0.0000  0.4000  1
  Ni  Ni3  4  0.0000  0.5000  0.0980  1
  Ni  Ni4  4  0.0000  0.5000  0.2990  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
  Ni  Ni6  2  0.5000  0.5000  0.1993  1
  Ni  Ni7  2  0.5000  0.5000  0.3991  1
  Ni  Ni8  1  0.5000  0.5000  0.0000  1
]