# generated using pymatgen
data_KCa(FeP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78415896
_cell_length_b   3.78415896
_cell_length_c   11.26740963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa(FeP)4
_chemical_formula_sum   'K1 Ca1 Fe4 P4'
_cell_volume   161.34771731
_cell_formula_units_Z   1
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  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.78157276  1.0
  Fe  Fe3  1  0.00000000  0.50000000  0.78157276  1.0
  Fe  Fe4  1  0.50000000  0.00000000  0.21842724  1.0
  Fe  Fe5  1  0.00000000  0.50000000  0.21842724  1.0
  P  P6  1  0.00000000  0.00000000  0.68685115  1.0
  P  P7  1  0.00000000  0.00000000  0.31314885  1.0
  P  P8  1  0.50000000  0.50000000  0.87521608  1.0
  P  P9  1  0.50000000  0.50000000  0.12478392  1.0