# generated using pymatgen
data_KCaCO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16420276
_cell_length_b   5.16420276
_cell_length_c   4.50731200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000974
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaCO3F
_chemical_formula_sum   'K1 Ca1 C1 O3 F1'
_cell_volume   104.10097123
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.50000000  1.0
  C  C2  1  0.66666700  0.33333300  0.50000000  1.0
  O  O3  1  0.81183500  0.62367100  0.50000000  1.0
  O  O4  1  0.37632900  0.18816500  0.50000000  1.0
  O  O5  1  0.81183500  0.18816500  0.50000000  1.0
  F  F6  1  0.33333300  0.66666700  0.00000000  1.0