data_[Nd2Hg2O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7639]
_cell_length_b [3.6084]
_cell_length_c [6.9165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdHgO2F]
_chemical_formula_sum '[Nd2 Hg2 O4 F2]'
_cell_volume [167.4439]
_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
[
  Nd  Nd0  2  0.2444  0.2500  0.8833  1
  Hg  Hg1  2  0.3198  0.7500  0.3746  1
  O  O2  2  0.2875  0.7500  0.6592  1
  O  O3  2  0.3813  0.7500  0.0942  1
  F  F4  2  0.0244  0.2500  0.1430  1
]