data_TaCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.95
_cell_angle_alpha   91.84
_cell_angle_beta   91.84
_cell_angle_gamma   106.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuSn2
_chemical_formula_sum   'Ta1 Cu1 Sn2'
_cell_volume   73.05
_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
  Ta  Ta3  1  0.04  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.44  0.96  0.47  1.0
  Sn  Sn2  1  0.44  0.04  0.47  1.0

data_TaCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   106.5
_cell_angle_beta   91.84
_cell_angle_gamma   91.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuSn2
_chemical_formula_sum   'Ta1 Cu1 Sn2'
_cell_volume   73.05
_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
  Ta  Ta0  1  0.0  0.04  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.47  0.44  0.04  1.0
  Sn  Sn3  1  0.47  0.44  0.96  1.0

Ta Cu Sn Sn