data_Sr2LaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.06
_cell_length_b   12.06
_cell_length_c   12.06
_cell_angle_alpha   18.75
_cell_angle_beta   18.75
_cell_angle_gamma   18.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaCr
_chemical_formula_sum   'Sr2 La1 Cr1'
_cell_volume   158.24
_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
  Sr  Sr2  1  0.0  0.0  0.29  1.0
  Sr  Sr3  1  0.0  0.0  0.24  1.0
  La  La1  1  0.0  0.0  0.77  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Sr2LaCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.8
_cell_length_b   3.93
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2LaCr
_chemical_formula_sum   'Sr4 La2 Cr2'
_cell_volume   316.48
_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
  Sr  Sr0  2  0.0  0.0  0.71  1.0
  Sr  Sr1  2  0.0  0.0  0.76  1.0
  La  La2  2  0.0  0.0  0.23  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

Sr Sr La Cr
Sr Sr La Cr 0 1 o o o 1 3 o o o 2 3 o o + 