data_[Mn8P12]
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 [C2/m]
_cell_length_a [11.7365]
_cell_length_b [2.9328]
_cell_length_c [8.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2P3]
_chemical_formula_sum '[Mn8 P12]'
_cell_volume [246.5310]
_cell_formula_units_Z [4]
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  4  0.1380  0.5000  0.3565  1.0
  Mn  Mn1  4  0.2495  0.0000  0.8635  1.0
  P  P2  4  0.0887  0.5000  0.8228  1.0
  P  P3  4  0.1021  0.0000  0.1326  1.0
  P  P4  4  0.1167  0.0000  0.5434  1.0
]