data_TaCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   148.64
_cell_angle_beta   139.48
_cell_angle_gamma   52.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuSn
_chemical_formula_sum   'Ta1 Cu1 Sn1'
_cell_volume   52.82
_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  Ta2  1  0.0  0.0  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.65  1.0
  Sn  Sn1  1  0.0  0.0  0.36  1.0

data_TaCuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.74
_cell_length_c   5.4
_cell_angle_alpha   110.26
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuSn
_chemical_formula_sum   'Ta1 Cu1 Sn1'
_cell_volume   52.82
_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  0.38  0.38  1.0
  Cu  Cu1  1  0.0  0.65  0.65  1.0
  Sn  Sn2  1  0.0  0.36  0.36  1.0

Ta Cu Sn
Ta Cu Sn 0 2 o o o 0 1 o o o 1 2 o o o 