# generated using pymatgen
data_LiCaPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31645114
_cell_length_b   5.31645156
_cell_length_c   5.31645144
_cell_angle_alpha   60.00000077
_cell_angle_beta   59.99999814
_cell_angle_gamma   59.99999791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaPd4
_chemical_formula_sum   'Li1 Ca1 Pd4'
_cell_volume   106.25528273
_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
  Li  Li0  1  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Pd  Pd2  1  0.12470768  0.62587797  0.12470768  1.0
  Pd  Pd3  1  0.12470768  0.12470768  0.62587797  1.0
  Pd  Pd4  1  0.62587797  0.12470768  0.12470768  1.0
  Pd  Pd5  1  0.12470768  0.12470768  0.12470768  1.0