data_[K4Fe4Co12P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.7910]
_cell_length_b [16.8208]
_cell_length_c [6.2297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [KFeCo3(PO4)3]
_chemical_formula_sum '[K4 Fe4 Co12 P12 O48]'
_cell_volume [1025.9808]
_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
[
  K  K0  4  0.2048  0.5350  0.5000  1
  Fe  Fe1  4  0.0123  0.6392  0.0000  1
  Co  Co2  8  0.2489  0.7979  0.2490  1
  Co  Co3  4  0.0343  0.0908  0.5000  1
  P  P4  4  0.0424  0.1655  0.0000  1
  P  P5  4  0.0433  0.7175  0.5000  1
  P  P6  4  0.2108  0.4632  0.0000  1
  O  O7  8  0.0871  0.1207  0.2020  1
  O  O8  8  0.0986  0.6782  0.2948  1
  O  O9  8  0.1662  0.4115  0.1979  1
  O  O10  4  0.1082  0.8043  0.5000  1
  O  O11  4  0.1146  0.2512  0.0000  1
  O  O12  4  0.1159  0.2757  0.5000  1
  O  O13  4  0.1168  0.8227  0.0000  1
  O  O14  4  0.1319  0.9786  0.5000  1
  O  O15  4  0.1410  0.5437  0.0000  1
]