data_[Mg1Nb4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2491]
_cell_length_b [5.5304]
_cell_length_c [7.4538]
_cell_angle_alpha [74.4468]
_cell_angle_beta [70.5806]
_cell_angle_gamma [89.1878]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgNb4O10]
_chemical_formula_sum '[Mg1 Nb4 O10]'
_cell_volume [195.9277]
_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
[
  Mg  Mg0  1  0.5000  0.0000  0.5000  1
  Nb  Nb1  2  0.0979  0.1931  0.3154  1
  Nb  Nb2  2  0.3612  0.3107  0.7713  1
  O  O3  2  0.1220  0.2300  0.0265  1
  O  O4  2  0.1572  0.1544  0.5956  1
  O  O5  2  0.2493  0.6398  0.6236  1
  O  O6  2  0.3473  0.5120  0.2194  1
  O  O7  2  0.4308  0.9894  0.2555  1
]