# generated using pymatgen
data_CaLa2Cu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83355500
_cell_length_b   3.83355500
_cell_length_c   10.56215271
_cell_angle_alpha   100.45574320
_cell_angle_beta   100.45574320
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Cu2O7
_chemical_formula_sum   'Ca1 La2 Cu2 O7'
_cell_volume   150.02380716
_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  0.50000000  0.50000000  0.00000000  1.0
  La  La1  1  0.32099200  0.32099200  0.64198400  1.0
  La  La2  1  0.67900800  0.67900800  0.35801600  1.0
  Cu  Cu3  1  0.09401400  0.09401400  0.18802800  1.0
  Cu  Cu4  1  0.90598600  0.90598600  0.81197200  1.0
  O  O5  1  0.09966000  0.59966000  0.19932100  1.0
  O  O6  1  0.90034000  0.40034000  0.80067900  1.0
  O  O7  1  0.59966000  0.09966000  0.19932100  1.0
  O  O8  1  0.40034000  0.90034000  0.80067900  1.0
  O  O9  1  0.20421400  0.20421400  0.40842800  1.0
  O  O10  1  0.79578600  0.79578600  0.59157200  1.0
  O  O11  1  0.00000000  0.00000000  0.00000000  1.0