# generated using pymatgen
data_CuGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85573600
_cell_length_b   4.92689800
_cell_length_c   6.30641935
_cell_angle_alpha   86.37590648
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeO3
_chemical_formula_sum   'Cu4 Ge4 O12'
_cell_volume   212.58917516
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1.0
  Ge  Ge4  1  0.20197900  0.50583000  0.25313200  1.0
  Ge  Ge5  1  0.29802100  0.50583000  0.75313200  1.0
  Ge  Ge6  1  0.70197900  0.49417000  0.24686800  1.0
  Ge  Ge7  1  0.79802100  0.49417000  0.74686800  1.0
  O  O8  1  0.88103800  0.14674000  0.74644200  1.0
  O  O9  1  0.19625300  0.32990400  0.99890200  1.0
  O  O10  1  0.80374700  0.67009600  0.00109800  1.0
  O  O11  1  0.38103800  0.85326000  0.75355800  1.0
  O  O12  1  0.95584200  0.34380300  0.31786800  1.0
  O  O13  1  0.61896200  0.14674000  0.24644200  1.0
  O  O14  1  0.69625300  0.67009600  0.50109800  1.0
  O  O15  1  0.54415800  0.34380300  0.81786800  1.0
  O  O16  1  0.45584200  0.65619700  0.18213200  1.0
  O  O17  1  0.04415800  0.65619700  0.68213200  1.0
  O  O18  1  0.11896200  0.85326000  0.25355800  1.0
  O  O19  1  0.30374700  0.32990400  0.49890200  1.0