data_TaCrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   144.09
_cell_angle_beta   144.09
_cell_angle_gamma   51.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCo
_chemical_formula_sum   'Ta1 Cr1 Co1'
_cell_volume   41.71
_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  0.94  1.0
  Cr  Cr1  1  0.0  0.0  0.01  1.0
  Co  Co0  1  0.0  0.0  0.9  1.0

data_TaCrCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   115.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCrCo
_chemical_formula_sum   'Ta2 Cr2 Co2'
_cell_volume   83.42
_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  0.44  0.5  0.94  1.0
  Cr  Cr1  2  0.01  0.0  0.01  1.0
  Co  Co2  2  0.4  0.5  0.9  1.0

Ta Cr Co
Ta Cr Co 0 2 o o o 0 1 o o + 