data_InCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   139.13
_cell_angle_beta   121.59
_cell_angle_gamma   73.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoSi2
_chemical_formula_sum   'In1 Co1 Si2'
_cell_volume   63.51
_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
  In  In1  1  0.0  0.38  0.89  1.0
  Co  Co0  1  0.0  0.0  0.62  1.0
  Si  Si2  1  0.0  0.0  0.2  1.0
  Si  Si3  1  0.71  0.0  0.11  1.0

data_InCoSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.77
_cell_length_c   4.88
_cell_angle_alpha   119.21
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoSi2
_chemical_formula_sum   'In1 Co1 Si2'
_cell_volume   63.51
_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
  In  In0  1  0.62  0.5  0.5  1.0
  Co  Co1  1  0.0  0.62  0.62  1.0
  Si  Si2  1  0.0  0.11  0.4  1.0
  Si  Si3  1  0.0  0.2  0.2  1.0

In Co Si Si
In Co Si Si 0 1 o o o 2 3 - o o 