data_[Mn9P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.5835]
_cell_length_b [8.5835]
_cell_length_c [18.7765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Mn9P8]
_chemical_formula_sum '[Mn9 P8]'
_cell_volume [1198.0332]
_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
[
  Mn  Mn0  6  0.1335  0.5667  0.4712  1
  Mn  Mn1  2  0.3333  0.6667  0.5817  1
  Mn  Mn2  1  0.0000  0.0000  0.5352  1
  P  P3  6  0.1897  0.3795  0.5355  1
  P  P4  2  0.3333  0.6667  0.3806  1
]