data_CrSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.86
_cell_angle_alpha   94.49
_cell_angle_beta   94.49
_cell_angle_gamma   44.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Sn
_chemical_formula_sum   'Cr1 Si2 Sn1'
_cell_volume   76.99
_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  0.42  0.0  0.06  1.0
  Si  Si1  1  0.77  0.0  0.44  1.0
  Si  Si2  1  0.62  0.0  0.74  1.0
  Sn  Sn3  1  0.96  0.0  0.36  1.0

data_CrSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.33
_cell_length_c   5.86
_cell_angle_alpha   94.49
_cell_angle_beta   90.0
_cell_angle_gamma   112.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Sn
_chemical_formula_sum   'Cr1 Si2 Sn1'
_cell_volume   76.99
_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  0.58  0.94  1.0
  Si  Si1  1  0.0  0.23  0.56  1.0
  Si  Si2  1  0.0  0.38  0.26  1.0
  Sn  Sn3  1  0.0  0.04  0.64  1.0

Cr Si Si Sn
Cr Si Si Sn 0 2 o o - 0 1 o o o 1 3 o o o 1 2 o o o 