# generated using pymatgen
data_Ca9YIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50884773
_cell_length_b   7.53874135
_cell_length_c   8.57475510
_cell_angle_alpha   97.26968386
_cell_angle_beta   112.30492020
_cell_angle_gamma   89.99999931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9YIr4
_chemical_formula_sum   'Ca9 Y1 Ir4'
_cell_volume   385.61055930
_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  0.97081838  0.91834155  0.17220016  1.0
  Ca  Ca1  1  0.79861722  0.58165845  0.82779984  1.0
  Ca  Ca2  1  0.02350033  0.08169826  0.82558677  1.0
  Ca  Ca3  1  0.19791457  0.41830174  0.17441323  1.0
  Ca  Ca4  1  0.63804881  0.82346322  0.43383912  1.0
  Ca  Ca5  1  0.20420769  0.67653678  0.56616088  1.0
  Ca  Ca6  1  0.36176585  0.17720919  0.56258563  1.0
  Ca  Ca7  1  0.79918122  0.32279081  0.43741437  1.0
  Ca  Ca8  1  0.42606829  0.75000000  0.00000000  1.0
  Y  Y9  1  0.56515436  0.25000000  1.00000000  1.0
  Ir  Ir10  1  0.81732721  0.57182634  0.21380759  1.0
  Ir  Ir11  1  0.60351862  0.92817366  0.78619241  1.0
  Ir  Ir12  1  0.18951482  0.41358099  0.78515219  1.0
  Ir  Ir13  1  0.40436362  0.08641901  0.21484781  1.0