data_[Ce4Mn4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [11.8272]
_cell_length_b [5.1567]
_cell_length_c [5.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CeMnP3]
_chemical_formula_sum '[Ce4 Mn4 P12]'
_cell_volume [327.8942]
_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
[
  Ce  Ce0  4  0.3058  0.0030  0.7500  1.0
  Mn  Mn1  4  0.0766  0.2500  0.0000  1.0
  P  P2  4  0.0663  0.6147  0.2500  1.0
  P  P3  4  0.1930  0.5130  0.7500  1.0
  P  P4  4  0.5000  0.7500  0.0000  1.0
]