data_TaCuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.68
_cell_length_c   2.74
_cell_angle_alpha   82.3
_cell_angle_beta   74.45
_cell_angle_gamma   23.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuOs
_chemical_formula_sum   'Ta1 Cu1 Os1'
_cell_volume   45.68
_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  0.57  0.25  0.33  1.0
  Cu  Cu0  1  0.57  0.25  0.01  1.0
  Os  Os1  1  0.57  0.25  0.65  1.0

data_TaCuOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.13
_cell_length_b   12.99
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   124.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCuOs
_chemical_formula_sum   'Ta2 Cu2 Os2'
_cell_volume   91.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.0  0.89  1.0
  Cu  Cu1  2  0.01  0.0  0.58  1.0
  Os  Os2  2  0.15  0.5  0.22  1.0

Ta Cu Os