# generated using pymatgen
data_CaLaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12882871
_cell_length_b   10.12882871
_cell_length_c   10.12882871
_cell_angle_alpha   115.55441036
_cell_angle_beta   112.87769259
_cell_angle_gamma   100.36199544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaCu2
_chemical_formula_sum   'Ca1 La1 Cu2'
_cell_volume   784.61128177
_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
  La  La1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.25852900  0.25852900  1.0
  Cu  Cu3  1  0.00000000  0.74147100  0.74147100  1.0