data_Zr3(Cu2Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3(Cu2Si)2
_chemical_formula_sum   'Zr3 Cu4 Si2'
_cell_volume   140.53
_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  Zr6  1  0.74  0.0  0.0  1.0
  Zr  Zr7  1  0.31  0.28  0.0  1.0
  Zr  Zr8  1  0.13  0.24  0.0  1.0
  Cu  Cu0  1  0.57  0.0  1.0  1.0
  Cu  Cu1  1  0.22  0.36  1.0  1.0
  Cu  Cu2  1  0.4  0.16  1.0  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.19  0.84  1.0  1.0
  Si  Si5  1  0.0  0.68  1.0  1.0

data_Zr3(Cu2Si)2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.37
_cell_length_b   4.0
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr3(Cu2Si)2
_chemical_formula_sum   'Zr3 Cu4 Si2'
_cell_volume   140.53
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.13  0.0  0.24  1.0
  Zr  Zr1  1  0.31  0.0  0.28  1.0
  Zr  Zr2  1  0.74  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.0  0.0  0.68  1.0
  Si  Si5  1  0.19  0.0  0.84  1.0
  Cu  Cu6  1  0.22  0.0  0.36  1.0
  Cu  Cu7  1  0.4  0.0  0.16  1.0
  Cu  Cu8  1  0.57  0.0  0.0  1.0

Zr Zr Zr Cu Cu Cu Cu Si Si