# generated using pymatgen
data_Zr2AlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44311748
_cell_length_b   5.44311748
_cell_length_c   3.84948600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.52741360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlSi
_chemical_formula_sum   'Zr2 Al1 Si1'
_cell_volume   75.53143802
_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
  Zr  Zr0  1  0.85657900  0.14342100  0.00000000  1.0
  Zr  Zr1  1  0.14371300  0.85628700  0.50000000  1.0
  Al  Al2  1  0.57944000  0.42056000  0.00000000  1.0
  Si  Si3  1  0.42026900  0.57973100  0.50000000  1.0