data_[Mn9P12]
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 [P31m]
_cell_length_a [7.7683]
_cell_length_b [7.7683]
_cell_length_c [18.8355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Mn3P4]
_chemical_formula_sum '[Mn9 P12]'
_cell_volume [984.3634]
_cell_formula_units_Z [3]
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  0.1597  0.3327  0.4363  1
  Mn  Mn1  3  0.0000  0.5000  0.5068  1
  P  P2  6  0.2066  0.4598  0.5869  1
  P  P3  3  0.0000  0.8081  0.5363  1
  P  P4  2  0.3333  0.6667  0.4240  1
  P  P5  1  0.0000  0.0000  0.3833  1
]