# generated using pymatgen
data_CaBe3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63363456
_cell_length_b   5.63363504
_cell_length_c   5.58492634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.25999283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe3Ir2
_chemical_formula_sum   'Ca2 Be6 Ir4'
_cell_volume   170.60695243
_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  0.15993906  0.84006094  0.25000000  1.0
  Ca  Ca1  1  0.84006094  0.15993906  0.75000000  1.0
  Be  Be2  1  0.57419332  0.02508421  0.25000000  1.0
  Be  Be3  1  0.97491579  0.42580568  0.25000000  1.0
  Be  Be4  1  0.57237663  0.42762337  0.25000000  1.0
  Be  Be5  1  0.42762337  0.57237663  0.75000000  1.0
  Be  Be6  1  0.02508421  0.57419332  0.75000000  1.0
  Be  Be7  1  0.42580568  0.97491579  0.75000000  1.0
  Ir  Ir8  1  0.30426622  0.30426622  0.00000000  1.0
  Ir  Ir9  1  0.69573278  0.69573278  0.00000000  1.0
  Ir  Ir10  1  0.30426622  0.30426622  0.50000000  1.0
  Ir  Ir11  1  0.69573278  0.69573278  0.50000000  1.0