data_Ta3Co4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Co4
_chemical_formula_sum   'Ta3 Co4'
_cell_volume   106.23
_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  0.62  0.0  0.23  1.0
  Ta  Ta5  1  0.69  0.27  0.23  1.0
  Ta  Ta6  1  0.31  0.27  0.23  1.0
  Co  Co0  1  0.0  0.0  0.39  1.0
  Co  Co1  1  0.0  0.0  0.07  1.0
  Co  Co2  1  0.0  0.03  0.0  1.0
  Co  Co3  1  0.62  0.51  0.0  1.0

data_Ta3Co4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Co4
_chemical_formula_sum   'Ta3 Co4'
_cell_volume   106.23
_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  0.23  0.31  0.27  1.0
  Ta  Ta1  1  0.23  0.62  0.0  1.0
  Ta  Ta2  1  0.23  0.69  0.27  1.0
  Co  Co3  1  0.0  0.0  0.03  1.0
  Co  Co4  1  0.0  0.62  0.51  1.0
  Co  Co5  1  0.07  0.0  0.0  1.0
  Co  Co6  1  0.39  0.0  0.0  1.0

Ta Ta Ta Co Co Co Co
Ta Ta Ta Co Co Co Co 0 1 o o o 1 2 o o o 1 6 o o o 2 4 o o o 2 5 o o o 2 3 o o o 2 6 o o o 3 5 o o o 3 4 o o o 4 5 o o o 