data_[Rb2Mg28B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1283]
_cell_length_b [6.2474]
_cell_length_c [12.1013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [RbMg14B]
_chemical_formula_sum '[Rb2 Mg28 B2]'
_cell_volume [765.7186]
_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
[
  Rb  Rb0  2  0.5000  0.0000  0.1926  1
  Mg  Mg1  8  0.2543  0.2351  0.5798  1
  Mg  Mg2  4  0.0000  0.2443  0.9312  1
  Mg  Mg3  4  0.2272  0.0000  0.3402  1
  Mg  Mg4  4  0.2608  0.0000  0.8281  1
  Mg  Mg5  4  0.5000  0.2448  0.9340  1
  Mg  Mg6  2  0.0000  0.0000  0.1675  1
  Mg  Mg7  2  0.0000  0.0000  0.6777  1
  B  B8  2  0.5000  0.0000  0.5759  1
]