# generated using pymatgen
data_LiCa4(AsIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34503645
_cell_length_b   7.34503714
_cell_length_c   7.34503731
_cell_angle_alpha   109.47121297
_cell_angle_beta   109.47121488
_cell_angle_gamma   109.47122830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa4(AsIr)6
_chemical_formula_sum   'Li1 Ca4 As6 Ir6'
_cell_volume   305.04232188
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca2  1  0.50000000  0.00000000  0.00000000  1.0
  Ca  Ca3  1  0.00000000  0.50000000  0.00000000  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.50000000  1.0
  As  As5  1  0.66901322  0.66901322  0.00000000  1.0
  As  As6  1  0.33098678  0.33098678  1.00000000  1.0
  As  As7  1  0.00000000  0.66901322  0.66901322  1.0
  As  As8  1  1.00000000  0.33098678  0.33098678  1.0
  As  As9  1  0.66901322  0.00000000  0.66901322  1.0
  As  As10  1  0.33098678  1.00000000  0.33098678  1.0
  Ir  Ir11  1  0.25000000  0.50000000  0.75000000  1.0
  Ir  Ir12  1  0.75000000  0.25000000  0.50000000  1.0
  Ir  Ir13  1  0.50000000  0.25000000  0.75000000  1.0
  Ir  Ir14  1  0.50000000  0.75000000  0.25000000  1.0
  Ir  Ir15  1  0.75000000  0.50000000  0.25000000  1.0
  Ir  Ir16  1  0.25000000  0.75000000  0.50000000  1.0