data_LiCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   4.87
_cell_angle_alpha   98.58
_cell_angle_beta   98.58
_cell_angle_gamma   38.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSi2
_chemical_formula_sum   'Li1 Co1 Si2'
_cell_volume   49.81
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.45  0.0  0.4  1.0
  Si  Si2  1  0.63  0.0  0.36  1.0
  Si  Si3  1  0.26  0.0  0.45  1.0

data_LiCoSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.06
_cell_length_c   4.87
_cell_angle_alpha   98.58
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSi2
_chemical_formula_sum   'Li1 Co1 Si2'
_cell_volume   49.81
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.55  0.6  1.0
  Si  Si2  1  0.0  0.37  0.64  1.0
  Si  Si3  1  0.0  0.74  0.55  1.0

Li Co Si Si