data_CrGaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   130.44
_cell_angle_beta   130.44
_cell_angle_gamma   72.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaSn2
_chemical_formula_sum   'Cr1 Ga1 Sn2'
_cell_volume   86.62
_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
  Ga  Ga1  1  0.0  0.0  0.31  1.0
  Sn  Sn2  1  0.24  0.0  0.15  1.0
  Sn  Sn3  1  0.0  0.24  0.15  1.0

data_CrGaSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   126.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrGaSn2
_chemical_formula_sum   'Cr2 Ga2 Sn4'
_cell_volume   173.23
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.31  1.0
  Sn  Sn2  4  0.38  0.62  0.91  1.0

Cr Ga Sn Sn