data_[Ca4P4Ru4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1357]
_cell_length_b [3.9332]
_cell_length_c [6.8217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2P2Ru2C]
_chemical_formula_sum '[Ca4 P4 Ru4 C2]'
_cell_volume [244.7509]
_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
[
  Ca  Ca0  4  0.0639  0.5000  0.3112  1.0
  P  P1  4  0.1808  0.0000  0.7212  1.0
  Ru  Ru2  4  0.1913  0.0000  0.0782  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]