data_CaCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   142.48
_cell_angle_beta   127.0
_cell_angle_gamma   66.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2Cu
_chemical_formula_sum   'Ca1 Co2 Cu1'
_cell_volume   62.99
_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  0.0  0.0  0.43  1.0
  Co  Co1  1  0.63  0.0  0.35  1.0
  Co  Co2  1  0.0  0.0  0.95  1.0
  Cu  Cu3  1  0.63  0.0  0.01  1.0

data_CaCo2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.54
_cell_length_c   5.08
_cell_angle_alpha   116.5
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2Cu
_chemical_formula_sum   'Ca1 Co2 Cu1'
_cell_volume   62.99
_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  0.0  0.43  0.43  1.0
  Co  Co1  1  0.0  0.35  0.72  1.0
  Co  Co2  1  0.0  0.95  0.95  1.0
  Cu  Cu3  1  0.0  0.01  0.37  1.0

Ca Co Co Cu