# generated using pymatgen
data_CaCu3(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71307192
_cell_length_b   6.70664188
_cell_length_c   6.69410520
_cell_angle_alpha   109.50037366
_cell_angle_beta   109.43574092
_cell_angle_gamma   109.52088789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu3(WO3)4
_chemical_formula_sum   'Ca1 Cu3 W4 O12'
_cell_volume   231.88056488
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000100  0.50000000  0.00000100  1.0
  Cu  Cu2  1  0.00000100  0.50000100  0.50000100  1.0
  Cu  Cu3  1  0.50000000  0.99999900  0.49999900  1.0
  W  W4  1  0.00000000  0.00000000  0.50000000  1.0
  W  W5  1  0.00000000  0.50000000  0.00000000  1.0
  W  W6  1  0.50000000  0.50000000  0.50000000  1.0
  W  W7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.82467700  0.29897600  0.12143100  1.0
  O  O9  1  0.17532400  0.70102400  0.87856900  1.0
  O  O10  1  0.82192500  0.70403400  0.52406400  1.0
  O  O11  1  0.28366900  0.47464200  0.16728600  1.0
  O  O12  1  0.47611800  0.17710900  0.29915900  1.0
  O  O13  1  0.12278300  0.82408700  0.29928400  1.0
  O  O14  1  0.71801300  0.88593400  0.18959000  1.0
  O  O15  1  0.52388200  0.82289100  0.70084100  1.0
  O  O16  1  0.17807500  0.29596600  0.47593600  1.0
  O  O17  1  0.71633100  0.52535800  0.83271400  1.0
  O  O18  1  0.87721600  0.17591200  0.70071600  1.0
  O  O19  1  0.28198700  0.11406600  0.81041000  1.0