data_LaCr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.64
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   96.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Fe
_chemical_formula_sum   'La1 Cr2 Fe1'
_cell_volume   65.43
_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  0.09  0.82  0.68  1.0
  Cr  Cr0  1  0.04  0.0  0.57  1.0
  Cr  Cr1  1  0.98  0.82  0.6  1.0
  Fe  Fe2  1  1.0  0.0  0.64  1.0

data_LaCr2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.64
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   96.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Fe
_chemical_formula_sum   'La1 Cr2 Fe1'
_cell_volume   65.43
_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  0.09  0.82  0.68  1.0
  Cr  Cr1  1  0.04  0.0  0.57  1.0
  Cr  Cr2  1  0.98  0.82  0.6  1.0
  Fe  Fe3  1  1.0  0.0  0.64  1.0

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