data_TaCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.05
_cell_angle_alpha   112.65
_cell_angle_beta   112.65
_cell_angle_gamma   43.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoCu2
_chemical_formula_sum   'Ta1 Co1 Cu2'
_cell_volume   51.62
_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  0.36  0.0  0.78  1.0
  Co  Co0  1  0.88  0.0  0.98  1.0
  Cu  Cu1  1  0.76  0.0  0.61  1.0
  Cu  Cu2  1  0.87  0.0  0.85  1.0

data_TaCoCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.05
_cell_length_c   4.53
_cell_angle_alpha   112.65
_cell_angle_beta   111.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoCu2
_chemical_formula_sum   'Ta1 Co1 Cu2'
_cell_volume   51.62
_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  0.78  0.36  1.0
  Co  Co1  1  0.0  0.98  0.88  1.0
  Cu  Cu2  1  0.0  0.61  0.76  1.0
  Cu  Cu3  1  0.0  0.85  0.87  1.0

Ta Co Cu Cu