data_CaAl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.14
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl2Co
_chemical_formula_sum   'Ca1 Al2 Co1'
_cell_volume   73.58
_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
  Ca  Ca2  1  0.72  0.0  0.99  1.0
  Al  Al0  1  0.87  0.0  0.72  1.0
  Al  Al1  1  0.22  0.07  0.06  1.0
  Co  Co3  1  0.61  0.07  0.96  1.0

data_CaAl2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.14
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl2Co
_chemical_formula_sum   'Ca1 Al2 Co1'
_cell_volume   73.58
_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
  Ca  Ca0  1  0.72  0.0  0.99  1.0
  Al  Al1  1  0.22  0.07  0.06  1.0
  Al  Al2  1  0.87  0.0  0.72  1.0
  Co  Co3  1  0.61  0.07  0.96  1.0

Ca Al Al Co