data_LaCr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   144.22
_cell_angle_beta   126.05
_cell_angle_gamma   66.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Ag
_chemical_formula_sum   'La1 Cr2 Ag1'
_cell_volume   71.25
_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  0.0  0.0  0.47  1.0
  Cr  Cr1  1  0.0  0.43  0.19  1.0
  Cr  Cr2  1  0.64  0.0  0.28  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_LaCr2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.85
_cell_length_c   5.35
_cell_angle_alpha   116.97
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Ag
_chemical_formula_sum   'La1 Cr2 Ag1'
_cell_volume   71.25
_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  0.47  0.47  1.0
  Cr  Cr1  1  0.0  0.28  0.64  1.0
  Cr  Cr2  1  0.57  0.77  0.77  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

La Cr Cr Ag
La Cr Cr Ag 0 2 - o o 1 3 o o o 