# generated using pymatgen
data_CaNb2Ga2(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54614197
_cell_length_b   6.54614197
_cell_length_c   7.56372053
_cell_angle_alpha   54.98241917
_cell_angle_beta   54.98241917
_cell_angle_gamma   70.69547455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb2Ga2(CuO4)3
_chemical_formula_sum   'Ca1 Nb2 Ga2 Cu3 O12'
_cell_volume   217.39414416
_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
  Nb  Nb1  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.50000000  1.0
  Ga  Ga3  1  0.00000000  0.50000000  0.00000000  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1.0
  O  O8  1  0.82685100  0.82685100  0.86859300  1.0
  O  O9  1  0.17314900  0.17314900  0.13140700  1.0
  O  O10  1  0.82620100  0.82620100  0.47773400  1.0
  O  O11  1  0.17379900  0.17379900  0.52226600  1.0
  O  O12  1  0.69264900  0.30243100  0.17618800  1.0
  O  O13  1  0.30735100  0.69756900  0.82381200  1.0
  O  O14  1  0.30243100  0.69264900  0.17618800  1.0
  O  O15  1  0.69756900  0.30735100  0.82381200  1.0
  O  O16  1  0.47887100  0.13060600  0.69436100  1.0
  O  O17  1  0.52112900  0.86939400  0.30563900  1.0
  O  O18  1  0.86939400  0.52112900  0.30563900  1.0
  O  O19  1  0.13060600  0.47887100  0.69436100  1.0