data_[Mn4Sb12P20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [18.4635]
_cell_length_b [8.0672]
_cell_length_c [5.2239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MnSb3P5]
_chemical_formula_sum '[Mn4 Sb12 P20]'
_cell_volume [778.0934]
_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  0.0000  0.0000  0.0000  1
  Sb  Sb1  8  0.1547  0.2676  0.2500  1
  Sb  Sb2  4  0.0000  0.3373  0.7500  1
  P  P3  8  0.0972  0.1027  0.7500  1
  P  P4  8  0.2243  0.5000  0.0000  1
  P  P5  4  0.0000  0.2540  0.2500  1
]