data_[Rb3Mg1Ni2F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8400]
_cell_length_b [5.8400]
_cell_length_c [7.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3MgNi2F9]
_chemical_formula_sum '[Rb3 Mg1 Ni2 F9]'
_cell_volume [211.2992]
_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
[
  Rb  Rb0  2  0.3333  0.6667  0.3309  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  2  0.3333  0.6667  0.8309  1.0
  F  F4  6  0.1660  0.3320  0.6653  1.0
  F  F5  3  0.0000  0.5000  0.0000  1.0
]