data_[Ca2Al10Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8713]
_cell_length_b [7.1072]
_cell_length_c [9.8324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CaAl5Co2]
_chemical_formula_sum '[Ca2 Al10 Co4]'
_cell_volume [270.5278]
_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  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  8  0.0000  0.1913  0.3397  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Co  Co3  4  0.0000  0.5000  0.2356  1.0
]