data_BaTa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.7
_cell_angle_alpha   101.78
_cell_angle_beta   101.78
_cell_angle_gamma   37.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Co
_chemical_formula_sum   'Ba1 Ta2 Co1'
_cell_volume   101.01
_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  0.83  0.0  0.18  1.0
  Ta  Ta2  1  0.14  0.0  0.13  1.0
  Ta  Ta3  1  0.36  0.0  0.73  1.0
  Co  Co1  1  0.73  0.0  0.76  1.0

data_BaTa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.01
_cell_length_c   6.7
_cell_angle_alpha   101.78
_cell_angle_beta   90.0
_cell_angle_gamma   108.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Co
_chemical_formula_sum   'Ba1 Ta2 Co1'
_cell_volume   101.01
_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  0.17  0.82  1.0
  Ta  Ta1  1  0.0  0.64  0.27  1.0
  Ta  Ta2  1  0.0  0.86  0.87  1.0
  Co  Co3  1  0.0  0.27  0.24  1.0

Ba Ta Ta Co