data_ZnCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.87
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   35.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Si
_chemical_formula_sum   'Zn1 Cu2 Si1'
_cell_volume   52.17
_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
  Zn  Zn3  1  0.65  0.0  0.38  1.0
  Cu  Cu0  1  0.95  0.0  0.14  1.0
  Cu  Cu1  1  0.36  0.0  0.62  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_ZnCu2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.36
_cell_length_c   4.87
_cell_angle_alpha   101.31
_cell_angle_beta   90.0
_cell_angle_gamma   107.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Si
_chemical_formula_sum   'Zn1 Cu2 Si1'
_cell_volume   52.17
_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
  Zn  Zn0  1  0.0  0.35  0.62  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.05  0.86  1.0
  Cu  Cu3  1  0.0  0.64  0.38  1.0

Zn Cu Cu Si