data_[Ta16Mn8P12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6331]
_cell_length_b [5.5629]
_cell_length_c [11.8194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Mn2(PC)3]
_chemical_formula_sum '[Ta16 Mn8 P12 C12]'
_cell_volume [609.1586]
_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
[
  Ta  Ta0  8  0.1169  0.0913  0.6014  1
  Ta  Ta1  8  0.2199  0.0804  0.8987  1
  Mn  Mn2  8  0.0474  0.4198  0.4014  1
  P  P3  8  0.1528  0.4311  0.7503  1
  P  P4  4  0.0000  0.1108  0.2500  1
  C  C5  8  0.0823  0.2531  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]