data_InCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   7.9
_cell_angle_alpha   22.81
_cell_angle_beta   22.81
_cell_angle_gamma   22.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoSi2
_chemical_formula_sum   'In1 Co1 Si2'
_cell_volume   65.09
_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  0.0  0.54  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.23  1.0
  Si  Si3  1  0.0  0.0  0.85  1.0

data_InCoSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.13
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InCoSi2
_chemical_formula_sum   'In2 Co2 Si4'
_cell_volume   130.18
_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
  In  In0  2  0.0  0.0  0.46  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.15  1.0
  Si  Si3  2  0.0  0.0  0.77  1.0

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