data_[Mn6W4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4575]
_cell_length_b [2.7815]
_cell_length_c [6.6710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn3(WC)2]
_chemical_formula_sum '[Mn6 W4 C4]'
_cell_volume [146.1577]
_cell_formula_units_Z [2]
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  0.1164  0.5000  0.4184  1.0
  Mn  Mn1  2  0.0000  0.5000  0.0000  1.0
  W  W2  4  0.1627  0.0000  0.7886  1.0
  C  C3  4  0.1414  0.0000  0.2244  1.0
]