data_BaTa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   3.0
_cell_angle_alpha   99.6
_cell_angle_beta   99.6
_cell_angle_gamma   125.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Co
_chemical_formula_sum   'Ba1 Ta2 Co1'
_cell_volume   82.18
_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
  Ba  Ba0  1  0.76  0.0  0.0  1.0
  Ta  Ta2  1  0.83  0.66  0.4  1.0
  Ta  Ta3  1  0.83  0.34  0.4  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_BaTa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.24
_cell_length_c   6.0
_cell_angle_alpha   112.86
_cell_angle_beta   99.6
_cell_angle_gamma   100.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Co
_chemical_formula_sum   'Ba1 Ta2 Co1'
_cell_volume   82.18
_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
  Ba  Ba0  1  0.0  0.0  0.76  1.0
  Ta  Ta1  1  0.06  0.66  0.5  1.0
  Ta  Ta2  1  0.73  0.34  0.17  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Ba Ta Ta Co