# generated using pymatgen
data_CaLaRu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28357679
_cell_length_b   7.30344908
_cell_length_c   7.30344972
_cell_angle_alpha   60.60419088
_cell_angle_beta   60.08997158
_cell_angle_gamma   60.08996616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaRu2O7
_chemical_formula_sum   'Ca2 La2 Ru4 O14'
_cell_volume   276.32764916
_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  0.12500000  0.62500000  0.62500000  1.0
  Ca  Ca1  1  0.62500000  0.62500000  0.62500000  1.0
  La  La2  1  0.62500000  0.12500000  0.62500000  1.0
  La  La3  1  0.62500000  0.62500000  0.12500000  1.0
  Ru  Ru4  1  0.62500000  0.12500000  0.12500000  1.0
  Ru  Ru5  1  0.12500000  0.62500000  0.12500000  1.0
  Ru  Ru6  1  0.12500000  0.12500000  0.62500000  1.0
  Ru  Ru7  1  0.12500000  0.12500000  0.12500000  1.0
  O  O8  1  0.19492008  0.19939518  0.80332180  1.0
  O  O9  1  0.19492008  0.80332180  0.19939518  1.0
  O  O10  1  0.45206224  0.04793776  0.04793776  1.0
  O  O11  1  0.19401227  0.80598773  0.80598773  1.0
  O  O12  1  0.05598773  0.44401227  0.44401227  1.0
  O  O13  1  0.80236294  0.80332180  0.19939518  1.0
  O  O14  1  0.44763706  0.44667820  0.05060482  1.0
  O  O15  1  0.49649779  0.50350221  0.50350221  1.0
  O  O16  1  0.05507992  0.05060482  0.44667820  1.0
  O  O17  1  0.44763706  0.05060482  0.44667820  1.0
  O  O18  1  0.05507992  0.44667820  0.05060482  1.0
  O  O19  1  0.75350221  0.74649779  0.74649779  1.0
  O  O20  1  0.80236294  0.19939518  0.80332180  1.0
  O  O21  1  0.79793776  0.20206224  0.20206224  1.0