# generated using pymatgen
data_KLaCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92842300
_cell_length_b   5.95890900
_cell_length_c   16.66513300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaCO4
_chemical_formula_sum   'K4 La4 C4 O16'
_cell_volume   588.72803977
_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  1  0.75000000  0.50000000  0.42360500  1.0
  K  K1  1  0.25000000  0.50000000  0.57639500  1.0
  K  K2  1  0.75000000  0.00000000  0.57639500  1.0
  K  K3  1  0.25000000  0.00000000  0.42360500  1.0
  La  La4  1  0.25000000  0.50000000  0.92775300  1.0
  La  La5  1  0.75000000  0.50000000  0.07224700  1.0
  La  La6  1  0.75000000  0.00000000  0.92775300  1.0
  La  La7  1  0.25000000  0.00000000  0.07224700  1.0
  C  C8  1  0.75000000  0.50000000  0.23685500  1.0
  C  C9  1  0.25000000  0.50000000  0.76314500  1.0
  C  C10  1  0.25000000  0.00000000  0.23685500  1.0
  C  C11  1  0.75000000  0.00000000  0.76314500  1.0
  O  O12  1  0.25000000  0.00000000  0.57690800  1.0
  O  O13  1  0.75000000  0.00000000  0.42309200  1.0
  O  O14  1  0.38965000  0.87528500  0.20454000  1.0
  O  O15  1  0.61035000  0.37528500  0.20454000  1.0
  O  O16  1  0.38965000  0.62471500  0.79546000  1.0
  O  O17  1  0.11035000  0.12471500  0.20454000  1.0
  O  O18  1  0.50972400  0.75000000  0.00000000  1.0
  O  O19  1  0.00972400  0.75000000  0.00000000  1.0
  O  O20  1  0.61035000  0.12471500  0.79546000  1.0
  O  O21  1  0.88965000  0.87528500  0.79546000  1.0
  O  O22  1  0.25000000  0.50000000  0.42309200  1.0
  O  O23  1  0.99027600  0.25000000  0.00000000  1.0
  O  O24  1  0.75000000  0.50000000  0.57690800  1.0
  O  O25  1  0.11035000  0.37528500  0.79546000  1.0
  O  O26  1  0.49027600  0.25000000  0.00000000  1.0
  O  O27  1  0.88965000  0.62471500  0.20454000  1.0