data_LaCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Si
_chemical_formula_sum   'La1 Cu2 Si1'
_cell_volume   70.55
_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
  La  La2  1  0.0  0.0  0.45  1.0
  Cu  Cu0  1  0.6  0.6  0.26  1.0
  Cu  Cu1  1  0.6  0.6  0.64  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_LaCu2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCu2Si
_chemical_formula_sum   'La2 Cu4 Si2'
_cell_volume   141.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.45  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.1  0.5  0.26  1.0
  Cu  Cu3  2  0.1  0.5  0.64  1.0

La Cu Cu Si
LaCu2Si crystallizes in the monoclinic Cm space group. La(1) is bonded in a 2-coordinate geometry to one Cu(1), one Cu(2), and one Si(1) atom. The La(1)-Cu(1) bond length is 2.22 Å. The La(1)-Cu(2) bond length is 2.22 Å. The La(1)-Si(1) bond length is 3.10 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 1-coordinate geometry to one La(1) and three equivalent Si(1) atoms. There is one shorter (2.57 Å) and two longer (2.93 Å) Cu(1)-Si(1) bond lengths. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to one La(1) and one Si(1) atom. The Cu(2)-Si(1) bond length is 3.10 Å. Si(1) is bonded in a 5-coordinate geometry to one La(1), one Cu(2), and three equivalent Cu(1) atoms.