data_[Ca4Co12P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2044]
_cell_length_b [3.6853]
_cell_length_c [6.9125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCo3P2]
_chemical_formula_sum '[Ca4 Co12 P8]'
_cell_volume [329.8728]
_cell_formula_units_Z [4]
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  0.1545  0.0000  0.0653  1.0
  Co  Co1  4  0.0406  0.0000  0.3642  1.0
  Co  Co2  4  0.0934  0.5000  0.6658  1.0
  Co  Co3  4  0.1819  0.5000  0.4294  1.0
  P  P4  4  0.0187  0.5000  0.1870  1.0
  P  P5  4  0.1833  0.0000  0.6538  1.0
]