# generated using pymatgen
data_Ca3(AlSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08697800
_cell_length_b   4.53210800
_cell_length_c   9.76391535
_cell_angle_alpha   103.41982965
_cell_angle_beta   102.08074262
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(AlSi)2
_chemical_formula_sum   'Ca3 Al2 Si2'
_cell_volume   171.79492681
_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  0.50000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.81344500  0.81344500  0.62689000  1.0
  Ca  Ca2  1  0.18655500  0.18655500  0.37311000  1.0
  Al  Al3  1  0.06862400  0.56862400  0.13724800  1.0
  Al  Al4  1  0.93137600  0.43137600  0.86275200  1.0
  Si  Si5  1  0.64428900  0.64428900  0.28857800  1.0
  Si  Si6  1  0.35571100  0.35571100  0.71142200  1.0