# generated using pymatgen
data_CaLaCrCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55197700
_cell_length_b   5.47237500
_cell_length_c   9.42684388
_cell_angle_alpha   54.58281242
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaCrCuO6
_chemical_formula_sum   'Ca2 La2 Cr2 Cu2 O12'
_cell_volume   233.41185587
_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  0.69936800  0.26000600  0.25057800  1.0
  Ca  Ca1  1  0.30063200  0.26000600  0.75057800  1.0
  La  La2  1  0.21247900  0.74283500  0.24995300  1.0
  La  La3  1  0.78752100  0.74283500  0.74995300  1.0
  Cr  Cr4  1  0.25089700  0.99794200  0.50102100  1.0
  Cr  Cr5  1  0.74910300  0.99794200  0.00102100  1.0
  Cu  Cu6  1  0.24854900  0.49963500  0.99944600  1.0
  Cu  Cu7  1  0.75145100  0.49963500  0.49944600  1.0
  O  O8  1  0.72959300  0.17044000  0.75630100  1.0
  O  O9  1  0.46439800  0.74752200  0.04165600  1.0
  O  O10  1  0.45829000  0.31774300  0.46201600  1.0
  O  O11  1  0.94819200  0.67139400  0.04213200  1.0
  O  O12  1  0.96185800  0.25163800  0.45254300  1.0
  O  O13  1  0.23298400  0.84084400  0.74435600  1.0
  O  O14  1  0.27040700  0.17044000  0.25630100  1.0
  O  O15  1  0.53560200  0.74752200  0.54165600  1.0
  O  O16  1  0.54171000  0.31774300  0.96201600  1.0
  O  O17  1  0.05180800  0.67139400  0.54213200  1.0
  O  O18  1  0.03814200  0.25163800  0.95254300  1.0
  O  O19  1  0.76701600  0.84084400  0.24435600  1.0