data_[Ca4Co4Sn4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1898]
_cell_length_b [4.3011]
_cell_length_c [7.3123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Co2Sn2C]
_chemical_formula_sum '[Ca4 Co4 Sn4 C2]'
_cell_volume [278.6280]
_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  0.0550  0.5000  0.8281  1.0
  Co  Co1  4  0.1801  0.0000  0.2568  1.0
  Sn  Sn2  4  0.1704  0.0000  0.6054  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]