data_[Tm6Mn3Ni36P9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4008]
_cell_length_b [8.4008]
_cell_length_c [11.7069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Mn(Ni4P)3]
_chemical_formula_sum '[Tm6 Mn3 Ni36 P9]'
_cell_volume [715.5102]
_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
[
  Tm  Tm0  6  0.0000  0.0000  0.3490  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Ni  Ni2  18  0.0040  0.5020  0.6831  1
  Ni  Ni3  18  0.0150  0.5075  0.8857  1
  P  P4  9  0.0000  0.5000  0.5000  1
]