# generated using pymatgen
data_Ba3CaLa2Cu6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57361704
_cell_length_b   5.57361704
_cell_length_c   12.44992526
_cell_angle_alpha   77.52344465
_cell_angle_beta   77.52344465
_cell_angle_gamma   90.97586596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CaLa2Cu6O13
_chemical_formula_sum   'Ba3 Ca1 La2 Cu6 O13'
_cell_volume   367.88401918
_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
  Ba  Ba0  1  0.58518000  0.08518000  0.81716100  1.0
  Ba  Ba1  1  0.10074100  0.60074100  0.81296500  1.0
  Ba  Ba2  1  0.91623400  0.41623400  0.18235900  1.0
  Ca  Ca3  1  0.41329500  0.91329500  0.20790000  1.0
  La  La4  1  0.25061800  0.75061800  0.49840700  1.0
  La  La5  1  0.75158100  0.25158100  0.49610900  1.0
  Cu  Cu6  1  0.17558200  0.17817200  0.64663500  1.0
  Cu  Cu7  1  0.67817200  0.67558200  0.64663500  1.0
  Cu  Cu8  1  0.32967400  0.32908400  0.34285700  1.0
  Cu  Cu9  1  0.82908400  0.82967400  0.34285700  1.0
  Cu  Cu10  1  0.48500900  0.50579300  0.00620300  1.0
  Cu  Cu11  1  0.00579300  0.98500900  0.00620300  1.0
  O  O12  1  0.05775300  0.09630600  0.85278900  1.0
  O  O13  1  0.59630600  0.55775300  0.85278900  1.0
  O  O14  1  0.43521800  0.35268800  0.15489000  1.0
  O  O15  1  0.85268800  0.93521800  0.15489000  1.0
  O  O16  1  0.43476700  0.93476700  0.63334400  1.0
  O  O17  1  0.93547100  0.43547100  0.62799600  1.0
  O  O18  1  0.93488200  0.93639500  0.62901200  1.0
  O  O19  1  0.43639500  0.43488200  0.62901200  1.0
  O  O20  1  0.56273800  0.06273800  0.36485600  1.0
  O  O21  1  0.08072200  0.58072200  0.35364000  1.0
  O  O22  1  0.07188400  0.06628400  0.36210800  1.0
  O  O23  1  0.56628400  0.57188400  0.36210800  1.0
  O  O24  1  0.26392800  0.76392800  0.01627400  1.0