data_CuAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   142.26
_cell_angle_beta   131.25
_cell_angle_gamma   63.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Sn
_chemical_formula_sum   'Cu1 Ag2 Sn1'
_cell_volume   72.14
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.75  0.0  0.11  1.0
  Ag  Ag1  1  0.0  0.23  0.5  1.0
  Sn  Sn3  1  0.0  0.0  0.61  1.0

data_CuAg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.47
_cell_length_c   5.41
_cell_angle_alpha   114.38
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Sn
_chemical_formula_sum   'Cu1 Ag2 Sn1'
_cell_volume   72.14
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.11  0.36  1.0
  Ag  Ag2  1  0.77  0.26  0.26  1.0
  Sn  Sn3  1  0.0  0.61  0.61  1.0

Cu Ag Ag Sn
Cu Ag Ag Sn 0 2 o o o 0 1 - o o 0 3 o o - 1 2 + o o 1 3 + o o 2 3 o o o 