# generated using pymatgen
data_CaTiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73525371
_cell_length_b   6.73525371
_cell_length_c   6.73525371
_cell_angle_alpha   131.83379363
_cell_angle_beta   131.83379363
_cell_angle_gamma   70.49165877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiF4
_chemical_formula_sum   'Ca2 Ti2 F8'
_cell_volume   166.19822521
_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  0.75000000  0.75000000  0.00000000  1.0
  Ca  Ca1  1  0.25000000  0.25000000  0.00000000  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.00000000  0.50000000  1.0
  F  F4  1  0.94631700  0.44631700  0.12865200  1.0
  F  F5  1  0.68233500  0.18233500  0.12865200  1.0
  F  F6  1  0.05368300  0.55368300  0.87134800  1.0
  F  F7  1  0.55368300  0.68233500  0.50000000  1.0
  F  F8  1  0.31766500  0.81766500  0.87134800  1.0
  F  F9  1  0.81766500  0.94631700  0.50000000  1.0
  F  F10  1  0.44631700  0.31766500  0.50000000  1.0
  F  F11  1  0.18233500  0.05368300  0.50000000  1.0