data_TaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   146.8
_cell_angle_beta   146.8
_cell_angle_gamma   47.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo4
_chemical_formula_sum   'Ta1 Co4'
_cell_volume   61.81
_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  Ta4  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.69  0.0  0.71  1.0
  Co  Co1  1  0.0  0.0  0.31  1.0
  Co  Co2  1  0.0  0.0  0.51  1.0
  Co  Co3  1  0.0  0.69  0.71  1.0

data_TaCo4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   113.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCo4
_chemical_formula_sum   'Ta2 Co8'
_cell_volume   123.62
_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  0.0  0.0  0.0  1.0
  Co  Co1  4  0.34  0.34  0.98  1.0
  Co  Co2  2  0.0  0.0  0.49  1.0
  Co  Co3  2  0.0  0.0  0.69  1.0

Ta Co Co Co Co
Ta Co Co Co Co 0 1 - o - 0 4 o - - 2 3 o o o 