# generated using pymatgen
data_CaTbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47283900
_cell_length_b   5.47283900
_cell_length_c   7.96146600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTbF6
_chemical_formula_sum   'Ca2 Tb2 F12'
_cell_volume   238.46156467
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Tb  Tb2  1  0.50000000  0.50000000  0.75000000  1.0
  Tb  Tb3  1  0.50000000  0.50000000  0.25000000  1.0
  F  F4  1  0.75311500  0.20107600  0.17708900  1.0
  F  F5  1  0.24688500  0.79892400  0.17708900  1.0
  F  F6  1  0.20107600  0.24688500  0.67708900  1.0
  F  F7  1  0.79892400  0.75311500  0.67708900  1.0
  F  F8  1  0.24688500  0.79892400  0.82291100  1.0
  F  F9  1  0.75311500  0.20107600  0.82291100  1.0
  F  F10  1  0.79892400  0.75311500  0.32291100  1.0
  F  F11  1  0.20107600  0.24688500  0.32291100  1.0
  F  F12  1  0.31409800  0.33651600  0.00000000  1.0
  F  F13  1  0.68590200  0.66348400  0.00000000  1.0
  F  F14  1  0.33651600  0.68590200  0.50000000  1.0
  F  F15  1  0.66348400  0.31409800  0.50000000  1.0