data_Y2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   139.25
_cell_angle_beta   139.25
_cell_angle_gamma   58.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuSi
_chemical_formula_sum   'Y2 Cu1 Si1'
_cell_volume   86.89
_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
  Y  Y2  1  0.06  0.0  0.57  1.0
  Y  Y3  1  0.0  0.0  0.14  1.0
  Cu  Cu0  1  0.0  0.06  0.57  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Y2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.9
_cell_angle_alpha   110.37
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuSi
_chemical_formula_sum   'Y2 Cu1 Si1'
_cell_volume   86.89
_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
  Y  Y0  1  0.43  0.0  0.49  1.0
  Y  Y1  1  0.86  0.0  0.86  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.49  0.06  0.49  1.0

Y Y Cu Si
Y Y Cu Si 0 2 o o o 1 3 o o o 