data_La2CoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   32.61
_cell_angle_beta   32.61
_cell_angle_gamma   32.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoAg
_chemical_formula_sum   'La2 Co1 Ag1'
_cell_volume   118.34
_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  La2  1  0.0  0.0  0.88  1.0
  La  La3  1  0.0  0.0  0.68  1.0
  Co  Co1  1  0.0  0.0  0.07  1.0
  Ag  Ag0  1  0.0  0.0  0.19  1.0

data_La2CoAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.5
_cell_length_b   4.33
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CoAg
_chemical_formula_sum   'La4 Co2 Ag2'
_cell_volume   236.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.12  1.0
  La  La1  2  0.0  0.0  0.32  1.0
  Co  Co2  2  0.0  0.0  0.93  1.0
  Ag  Ag3  2  0.0  0.0  0.81  1.0

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