data_LaCrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   153.39
_cell_angle_beta   153.39
_cell_angle_gamma   37.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrAg
_chemical_formula_sum   'La1 Cr1 Ag1'
_cell_volume   62.49
_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  0.68  1.0
  Cr  Cr1  1  0.0  0.0  0.49  1.0
  Ag  Ag0  1  0.0  0.0  0.48  1.0

data_LaCrAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCrAg
_chemical_formula_sum   'La2 Cr2 Ag2'
_cell_volume   124.98
_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  0.18  0.5  0.68  1.0
  Cr  Cr1  2  0.49  0.0  0.49  1.0
  Ag  Ag2  2  0.48  0.0  0.48  1.0

La Cr Ag
La Cr Ag 0 2 o o o 0 1 o o o 1 2 o o o 