data_Zr2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   148.34
_cell_angle_beta   135.75
_cell_angle_gamma   55.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FeSi
_chemical_formula_sum   'Zr2 Fe1 Si1'
_cell_volume   68.6
_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  Zr2  1  0.56  0.0  0.06  1.0
  Zr  Zr3  1  0.0  0.0  0.83  1.0
  Fe  Fe0  1  0.0  0.16  0.19  1.0
  Si  Si1  1  0.0  0.0  0.08  1.0

data_Zr2FeSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.32
_cell_length_c   5.73
_cell_angle_alpha   112.12
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FeSi
_chemical_formula_sum   'Zr2 Fe1 Si1'
_cell_volume   68.6
_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  0.17  0.17  0.17  1.0
  Zr  Zr1  1  0.51  0.94  0.51  1.0
  Fe  Fe2  1  0.81  0.97  0.97  1.0
  Si  Si3  1  0.92  0.92  0.92  1.0

Zr Zr Fe Si