data_LaCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   6.69
_cell_angle_alpha   96.42
_cell_angle_beta   96.42
_cell_angle_gamma   58.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Cl
_chemical_formula_sum   'La1 Co2 Cl1'
_cell_volume   88.81
_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
  La  La3  1  0.87  0.0  0.99  1.0
  Co  Co1  1  0.49  0.0  0.93  1.0
  Co  Co2  1  0.14  0.0  0.13  1.0
  Cl  Cl0  1  0.62  0.0  0.89  1.0

data_LaCo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.97
_cell_length_c   6.69
_cell_angle_alpha   96.42
_cell_angle_beta   90.0
_cell_angle_gamma   119.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Cl
_chemical_formula_sum   'La1 Co2 Cl1'
_cell_volume   88.81
_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
  La  La0  1  0.0  0.13  0.01  1.0
  Co  Co1  1  0.0  0.51  0.07  1.0
  Co  Co2  1  0.0  0.86  0.87  1.0
  Cl  Cl3  1  0.0  0.38  0.11  1.0

La Co Co Cl
La Co Co Cl 0 3 o o o 0 2 + o + 1 3 o o o 