data_La2CoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   132.36
_cell_angle_beta   132.36
_cell_angle_gamma   69.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoAg
_chemical_formula_sum   'La2 Co1 Ag1'
_cell_volume   91.09
_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  0.24  0.0  0.27  1.0
  La  La3  1  0.0  0.0  0.55  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.24  0.27  1.0

data_La2CoAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.54
_cell_angle_alpha   113.82
_cell_angle_beta   113.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoAg
_chemical_formula_sum   'La2 Co1 Ag1'
_cell_volume   91.09
_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  0.27  0.04  0.04  1.0
  La  La1  1  0.55  0.55  0.55  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.04  0.27  0.04  1.0

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