# generated using pymatgen
data_Ca3(Al3Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81898870
_cell_length_b   8.81898927
_cell_length_c   9.60593211
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(Al3Os)4
_chemical_formula_sum   'Ca6 Al24 Os8'
_cell_volume   647.00517494
_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  0.19427849  0.38855698  0.25000000  1.0
  Ca  Ca1  1  0.80572151  0.61144302  0.75000000  1.0
  Ca  Ca2  1  0.61144302  0.80572151  0.25000000  1.0
  Ca  Ca3  1  0.38855698  0.19427849  0.75000000  1.0
  Ca  Ca4  1  0.19427849  0.80572151  0.25000000  1.0
  Ca  Ca5  1  0.80572151  0.19427849  0.75000000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.99519449  1.0
  Al  Al7  1  0.66666700  0.33333300  0.00480551  1.0
  Al  Al8  1  0.66666700  0.33333300  0.49519449  1.0
  Al  Al9  1  0.33333300  0.66666700  0.50480551  1.0
  Al  Al10  1  0.16258482  0.32516964  0.57116218  1.0
  Al  Al11  1  0.83741518  0.67483036  0.42883782  1.0
  Al  Al12  1  0.67483036  0.83741518  0.57116218  1.0
  Al  Al13  1  0.83741518  0.67483036  0.07116218  1.0
  Al  Al14  1  0.32516964  0.16258482  0.42883782  1.0
  Al  Al15  1  0.16258482  0.32516964  0.92883782  1.0
  Al  Al16  1  0.16258482  0.83741518  0.57116218  1.0
  Al  Al17  1  0.32516964  0.16258482  0.07116218  1.0
  Al  Al18  1  0.83741518  0.16258482  0.42883782  1.0
  Al  Al19  1  0.67483036  0.83741518  0.92883782  1.0
  Al  Al20  1  0.83741518  0.16258482  0.07116218  1.0
  Al  Al21  1  0.16258482  0.83741518  0.92883782  1.0
  Al  Al22  1  0.56143903  0.12287807  0.25000000  1.0
  Al  Al23  1  0.43856097  0.87712193  0.75000000  1.0
  Al  Al24  1  0.87712193  0.43856097  0.25000000  1.0
  Al  Al25  1  0.12287807  0.56143903  0.75000000  1.0
  Al  Al26  1  0.56143903  0.43856097  0.25000000  1.0
  Al  Al27  1  0.43856097  0.56143903  0.75000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.75000000  1.0
  Os  Os30  1  0.50000000  0.00000000  0.00000000  1.0
  Os  Os31  1  0.00000000  0.50000000  0.00000000  1.0
  Os  Os32  1  0.50000000  0.00000000  0.50000000  1.0
  Os  Os33  1  0.50000000  0.50000000  0.00000000  1.0
  Os  Os34  1  0.00000000  0.50000000  0.50000000  1.0
  Os  Os35  1  0.50000000  0.50000000  0.50000000  1.0
  Os  Os36  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os37  1  0.00000000  0.00000000  0.50000000  1.0