data_LaCr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2In
_chemical_formula_sum   'La1 Cr2 In1'
_cell_volume   76.78
_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  0.51  0.55  0.73  1.0
  Cr  Cr0  1  0.01  0.0  0.33  1.0
  Cr  Cr1  1  0.53  0.55  0.37  1.0
  In  In2  1  0.06  0.0  0.43  1.0

data_LaCr2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2In
_chemical_formula_sum   'La1 Cr2 In1'
_cell_volume   76.78
_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  0.51  0.55  0.73  1.0
  Cr  Cr1  1  0.01  0.0  0.33  1.0
  Cr  Cr2  1  0.53  0.55  0.37  1.0
  In  In3  1  0.06  0.0  0.43  1.0

La Cr Cr In
La Cr Cr In 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 0 + o o 0 0 o + o 0 2 o o o 1 3 o o o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 