data_SrCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   36.86
_cell_angle_beta   36.86
_cell_angle_gamma   36.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSn2
_chemical_formula_sum   'Sr1 Cu1 Sn2'
_cell_volume   106.05
_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
  Sr  Sr3  1  0.0  0.0  0.64  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.46  1.0
  Sn  Sn2  1  0.0  0.0  0.83  1.0

data_SrCuSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.56
_cell_length_b   4.36
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   111.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCuSn2
_chemical_formula_sum   'Sr2 Cu2 Sn4'
_cell_volume   212.1
_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
  Sr  Sr0  2  0.0  0.0  0.36  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.17  1.0
  Sn  Sn3  2  0.0  0.0  0.54  1.0

Sr Cu Sn Sn
Sr Cu Sn Sn 0 2 o o o 0 3 o o o 1 3 o o - 