# generated using pymatgen
data_CsNiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10916741
_cell_length_b   6.10916741
_cell_length_c   14.71554900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNiF3
_chemical_formula_sum   'Cs6 Ni6 F18'
_cell_volume   475.63212641
_cell_formula_units_Z   6
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
  Cs  Cs0  1  0.00000000  0.00000000  0.25000000  1.0
  Cs  Cs1  1  0.00000000  0.00000000  0.75000000  1.0
  Cs  Cs2  1  0.33333300  0.66666700  0.40603400  1.0
  Cs  Cs3  1  0.66666700  0.33333300  0.59396600  1.0
  Cs  Cs4  1  0.66666700  0.33333300  0.90603400  1.0
  Cs  Cs5  1  0.33333300  0.66666700  0.09396600  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni8  1  0.33333300  0.66666700  0.65361000  1.0
  Ni  Ni9  1  0.66666700  0.33333300  0.34639000  1.0
  Ni  Ni10  1  0.66666700  0.33333300  0.15361000  1.0
  Ni  Ni11  1  0.33333300  0.66666700  0.84639000  1.0
  F  F12  1  0.52446900  0.47553100  0.25000000  1.0
  F  F13  1  0.52446900  0.04893700  0.25000000  1.0
  F  F14  1  0.95106300  0.47553100  0.25000000  1.0
  F  F15  1  0.47553100  0.52446900  0.75000000  1.0
  F  F16  1  0.47553100  0.95106300  0.75000000  1.0
  F  F17  1  0.04893700  0.52446900  0.75000000  1.0
  F  F18  1  0.83439800  0.16560200  0.42092200  1.0
  F  F19  1  0.83439800  0.66879500  0.42092200  1.0
  F  F20  1  0.33120500  0.16560200  0.42092200  1.0
  F  F21  1  0.16560200  0.83439800  0.57907800  1.0
  F  F22  1  0.16560200  0.33120500  0.57907800  1.0
  F  F23  1  0.66879500  0.83439800  0.57907800  1.0
  F  F24  1  0.16560200  0.83439800  0.92092200  1.0
  F  F25  1  0.16560200  0.33120500  0.92092200  1.0
  F  F26  1  0.66879500  0.83439800  0.92092200  1.0
  F  F27  1  0.83439800  0.16560200  0.07907800  1.0
  F  F28  1  0.83439800  0.66879500  0.07907800  1.0
  F  F29  1  0.33120500  0.16560200  0.07907800  1.0