data_TaCuOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.41
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuOs2
_chemical_formula_sum   'Ta1 Cu1 Os2'
_cell_volume   59.61
_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  0.14  0.0  0.49  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.01  0.2  0.14  1.0
  Os  Os2  1  0.26  0.2  0.84  1.0

data_TaCuOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.41
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuOs2
_chemical_formula_sum   'Ta1 Cu1 Os2'
_cell_volume   59.61
_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  0.14  0.0  0.49  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.01  0.2  0.14  1.0
  Os  Os3  1  0.26  0.2  0.84  1.0

Ta Cu Os Os
Ta Cu Os Os 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o - 2 3 o o - 