data_CaGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.64
_cell_angle_alpha   106.63
_cell_angle_beta   106.63
_cell_angle_gamma   50.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Sn
_chemical_formula_sum   'Ca1 Ga2 Sn1'
_cell_volume   98.66
_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  0.16  0.0  0.24  1.0
  Ga  Ga1  1  0.04  0.0  0.94  1.0
  Ga  Ga2  1  0.86  0.0  0.16  1.0
  Sn  Sn3  1  0.5  0.0  0.03  1.0

data_CaGa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.88
_cell_length_c   5.64
_cell_angle_alpha   106.63
_cell_angle_beta   90.0
_cell_angle_gamma   115.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Sn
_chemical_formula_sum   'Ca1 Ga2 Sn1'
_cell_volume   98.66
_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  0.0  0.84  0.76  1.0
  Ga  Ga1  1  0.0  0.14  0.84  1.0
  Ga  Ga2  1  0.0  0.96  0.06  1.0
  Sn  Sn3  1  0.0  0.5  0.97  1.0

Ca Ga Ga Sn