data_[Rb12Mo2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.4454]
_cell_length_b [10.4454]
_cell_length_c [8.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Rb6MoP4]
_chemical_formula_sum '[Rb12 Mo2 P8]'
_cell_volume [793.7401]
_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  6  0.0667  0.5334  0.1372  1
  Rb  Rb1  6  0.1464  0.2927  0.4562  1
  Mo  Mo2  2  0.3333  0.6667  0.7446  1
  P  P3  6  0.2104  0.4208  0.8331  1
  P  P4  2  0.3333  0.6667  0.4683  1
]