data_CaGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.22
_cell_length_c   3.66
_cell_angle_alpha   73.4
_cell_angle_beta   72.44
_cell_angle_gamma   34.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaSn
_chemical_formula_sum   'Ca1 Ga1 Sn1'
_cell_volume   75.94
_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
  Ca  Ca0  1  0.55  0.63  0.07  1.0
  Ga  Ga1  1  0.55  0.63  0.75  1.0
  Sn  Sn2  1  0.55  0.63  0.53  1.0

data_CaGaSn
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.66
_cell_length_b   11.34
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CaGaSn
_chemical_formula_sum   'Ca2 Ga2 Sn2'
_cell_volume   151.95
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+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
  Ca  Ca0  2  0.0  0.0  0.69  1.0
  Ga  Ga1  2  0.0  0.0  0.37  1.0
  Sn  Sn2  2  0.0  0.0  0.15  1.0

Ca Ga Sn