data_CaCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   139.67
_cell_angle_beta   115.5
_cell_angle_gamma   78.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2Cl
_chemical_formula_sum   'Ca1 Co2 Cl1'
_cell_volume   76.46
_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  0.77  0.0  0.88  1.0
  Co  Co2  1  0.0  0.73  0.9  1.0
  Co  Co3  1  0.0  0.0  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.59  1.0

data_CaCo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   64.5
_cell_angle_beta   69.84
_cell_angle_gamma   69.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2Cl
_chemical_formula_sum   'Ca1 Co2 Cl1'
_cell_volume   76.46
_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  0.23  0.88  1.0
  Co  Co1  1  0.0  0.0  0.46  1.0
  Co  Co2  1  0.73  0.0  0.16  1.0
  Cl  Cl3  1  0.0  -0.0  0.59  1.0

Ca Co Co Cl