# generated using pymatgen
data_Cs2ZrCu3F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19901072
_cell_length_b   8.19901072
_cell_length_c   8.19900997
_cell_angle_alpha   52.35971960
_cell_angle_beta   52.35971960
_cell_angle_gamma   52.35971891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2ZrCu3F12
_chemical_formula_sum   'Cs2 Zr1 Cu3 F12'
_cell_volume   319.80132229
_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
  Cs  Cs0  1  0.89411600  0.89411600  0.89411600  1.0
  Cs  Cs1  1  0.10588400  0.10588400  0.10588400  1.0
  Zr  Zr2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  F  F6  1  0.41735500  0.41735500  0.82542700  1.0
  F  F7  1  0.82542700  0.41735500  0.41735500  1.0
  F  F8  1  0.41735500  0.82542700  0.41735500  1.0
  F  F9  1  0.58264500  0.17457300  0.58264500  1.0
  F  F10  1  0.58264500  0.58264500  0.17457300  1.0
  F  F11  1  0.17457300  0.58264500  0.58264500  1.0
  F  F12  1  0.57605500  0.19241000  0.19241000  1.0
  F  F13  1  0.19241000  0.19241000  0.57605500  1.0
  F  F14  1  0.19241000  0.57605500  0.19241000  1.0
  F  F15  1  0.80759000  0.42394500  0.80759000  1.0
  F  F16  1  0.42394500  0.80759000  0.80759000  1.0
  F  F17  1  0.80759000  0.80759000  0.42394500  1.0