data_[Li4Ca2Nb4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9595]
_cell_length_b [18.1044]
_cell_length_c [4.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li2CaNb2O7]
_chemical_formula_sum '[Li4 Ca2 Nb4 O14]'
_cell_volume [294.7856]
_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
[
  Li  Li0  4  0.0000  0.2440  0.5051  1.0
  Ca  Ca1  2  0.0000  0.5000  0.9012  1.0
  Nb  Nb2  4  0.0000  0.1141  0.9683  1.0
  O  O3  4  0.0000  0.1056  0.5125  1.0
  O  O4  4  0.0000  0.2186  0.0131  1.0
  O  O5  4  0.0000  0.3986  0.5221  1.0
  O  O6  2  0.0000  0.0000  0.0570  1.0
]