# generated using pymatgen
data_BaCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51453826
_cell_length_b   5.51827938
_cell_length_c   7.32115128
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.95811386
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuF4
_chemical_formula_sum   'Ba2 Cu2 F8'
_cell_volume   173.50250899
_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
  Ba  Ba0  1  0.13427380  0.50481078  0.26854860  1.0
  Ba  Ba1  1  0.86572620  0.00481078  0.73145140  1.0
  Cu  Cu2  1  0.40667442  0.52917116  0.81335084  1.0
  Cu  Cu3  1  0.59332558  0.02917116  0.18664916  1.0
  F  F4  1  0.92817816  0.52510586  0.85635533  1.0
  F  F5  1  0.07182184  0.02510586  0.14364467  1.0
  F  F6  1  0.32478818  0.25692981  0.64957737  1.0
  F  F7  1  0.67521182  0.75692981  0.35042263  1.0
  F  F8  1  0.52068926  0.33334377  0.04137852  1.0
  F  F9  1  0.47931074  0.83334377  0.95862148  1.0
  F  F10  1  0.69891657  0.24373962  0.39783414  1.0
  F  F11  1  0.30108343  0.74373962  0.60216586  1.0