data_LaCo2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.79
_cell_angle_alpha   110.41
_cell_angle_beta   110.41
_cell_angle_gamma   59.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Ag
_chemical_formula_sum   'La1 Co2 Ag1'
_cell_volume   79.14
_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  0.43  0.0  0.46  1.0
  Co  Co1  1  0.01  0.0  0.43  1.0
  Co  Co2  1  0.84  0.0  0.49  1.0
  Ag  Ag0  1  0.09  0.0  0.58  1.0

data_LaCo2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.17
_cell_length_c   5.79
_cell_angle_alpha   110.41
_cell_angle_beta   90.0
_cell_angle_gamma   119.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Ag
_chemical_formula_sum   'La1 Co2 Ag1'
_cell_volume   79.14
_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  0.57  0.54  1.0
  Co  Co1  1  0.0  0.16  0.51  1.0
  Co  Co2  1  0.0  0.99  0.57  1.0
  Ag  Ag3  1  0.0  0.91  0.42  1.0

La Co Co Ag
La Co Co Ag 0 3 o o o 0 1 o o o 0 2 o o o 1 2 - o o 1 3 o o o 2 3 + o o 