data_CrFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   4.03
_cell_angle_alpha   123.62
_cell_angle_beta   120.07
_cell_angle_gamma   86.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeSi2
_chemical_formula_sum   'Cr1 Fe1 Si2'
_cell_volume   45.0
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.93  1.0
  Si  Si2  1  0.0  0.02  0.45  1.0
  Si  Si3  1  0.91  0.0  0.48  1.0

data_CrFeSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.03
_cell_length_c   4.03
_cell_angle_alpha   119.96
_cell_angle_beta   118.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeSi2
_chemical_formula_sum   'Cr1 Fe1 Si2'
_cell_volume   45.0
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.93  0.93  1.0
  Si  Si2  1  0.0  0.48  0.58  1.0
  Si  Si3  1  0.98  0.43  0.43  1.0

Cr Fe Si Si