data_[Mg2Ta10C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4805]
_cell_length_b [9.4927]
_cell_length_c [5.4864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTa5C6]
_chemical_formula_sum '[Mg2 Ta10 C12]'
_cell_volume [269.2939]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1
  Ta  Ta1  4  0.0000  0.1623  0.5000  1
  Ta  Ta2  4  0.0000  0.3333  0.0000  1
  Ta  Ta3  2  0.0000  0.5000  0.5000  1
  C  C4  8  0.2469  0.3318  0.7461  1
  C  C5  4  0.2480  0.5000  0.2500  1
]