data_LaCrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   148.15
_cell_angle_beta   123.16
_cell_angle_gamma   66.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrSn2
_chemical_formula_sum   'La1 Cr1 Sn2'
_cell_volume   97.02
_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  La1  1  0.0  0.0  0.06  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.88  0.95  1.0
  Sn  Sn3  1  0.66  0.0  0.11  1.0

data_LaCrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.77
_cell_length_c   6.06
_cell_angle_alpha   118.42
_cell_angle_beta   105.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrSn2
_chemical_formula_sum   'La1 Cr1 Sn2'
_cell_volume   97.02
_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  0.06  0.06  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.11  0.45  1.0
  Sn  Sn3  1  0.12  0.06  0.06  1.0

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