data_CoSiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   148.54
_cell_angle_beta   148.54
_cell_angle_gamma   45.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSiMo
_chemical_formula_sum   'Co1 Si1 Mo1'
_cell_volume   37.5
_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
  Co  Co0  1  0.0  0.0  0.2  1.0
  Si  Si2  1  0.0  0.0  0.17  1.0
  Mo  Mo1  1  0.0  0.0  0.18  1.0

data_CoSiMo
_symmetry_space_group_name_H-M   I4mm
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   107
_chemical_formula_structural   CoSiMo
_chemical_formula_sum   'Co2 Si2 Mo2'
_cell_volume   75.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, z'
  9  'x+1/2, y+1/2, z+1/2'
  10  '-y+1/2, x+1/2, z+1/2'
  11  '-x+1/2, -y+1/2, z+1/2'
  12  'y+1/2, -x+1/2, z+1/2'
  13  '-x+1/2, y+1/2, z+1/2'
  14  'y+1/2, x+1/2, z+1/2'
  15  'x+1/2, -y+1/2, z+1/2'
  16  '-y+1/2, -x+1/2, z+1/2'
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
  Co  Co0  2  0.0  0.0  0.8  1.0
  Si  Si1  2  0.0  0.0  0.81  1.0
  Mo  Mo2  2  0.0  0.0  0.81  1.0

Co Si Mo
Co Si Mo 0 2 o o o 0 1 o o o 1 2 o o o 