data_La2CrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   117.08
_cell_angle_beta   117.08
_cell_angle_gamma   95.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrOs2
_chemical_formula_sum   'La2 Cr1 Os2'
_cell_volume   121.54
_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  0.86  0.85  1.0
  La  La2  1  0.86  0.0  0.85  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.99  1.0
  Os  Os4  1  0.0  0.0  0.42  1.0

data_La2CrOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.41
_cell_length_b   8.1
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   132.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CrOs2
_chemical_formula_sum   'La4 Cr2 Os4'
_cell_volume   243.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.07  0.15  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.01  1.0
  Os  Os3  2  0.0  0.0  0.58  1.0

La La Cr Os Os
La La Cr Os Os 0 2 o + + 0 3 o + o 0 4 o + + 0 4 o + o 1 2 + o + 1 3 + o o 1 4 + o + 1 4 + o o 2 3 o o - 2 4 o o o 3 4 o o + 