data_LaAlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.89
_cell_angle_beta   119.73
_cell_angle_gamma   71.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlCr2
_chemical_formula_sum   'La1 Al1 Cr2'
_cell_volume   67.84
_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  0.19  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.6  0.12  1.0
  Cr  Cr2  1  0.56  0.0  0.07  1.0

data_LaAlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.27
_cell_angle_beta   72.45
_cell_angle_gamma   72.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlCr2
_chemical_formula_sum   'La1 Al1 Cr2'
_cell_volume   67.84
_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  0.19  -0.0  0.81  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.12  -0.0  0.48  1.0
  Cr  Cr3  1  0.51  0.56  0.93  1.0

La Al Cr Cr