data_NdFeCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   138.75
_cell_angle_beta   138.75
_cell_angle_gamma   59.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdFeCoSi2
_chemical_formula_sum   'Nd1 Fe1 Co1 Si2'
_cell_volume   77.91
_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
  Nd  Nd0  1  0.99  0.0  0.45  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.91  1.0
  Si  Si3  1  0.0  0.99  0.79  1.0
  Si  Si4  1  0.0  0.99  0.11  1.0

data_NdFeCoSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   119.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NdFeCoSi2
_chemical_formula_sum   'Nd2 Fe2 Co2 Si4'
_cell_volume   155.82
_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
  Nd  Nd0  2  0.49  0.5  0.54  1.0
  Fe  Fe1  2  0.5  0.5  0.0  1.0
  Co  Co2  2  0.5  0.5  0.09  1.0
  Si  Si3  2  0.49  0.5  0.2  1.0
  Si  Si4  2  0.49  0.5  0.88  1.0

Nd Fe Co Si Si