data_SrLaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   143.06
_cell_angle_beta   128.27
_cell_angle_gamma   65.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaCr2
_chemical_formula_sum   'Sr1 La1 Cr2'
_cell_volume   110.34
_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  Sr3  1  0.0  0.0  0.1  1.0
  La  La2  1  0.96  0.0  0.01  1.0
  Cr  Cr0  1  0.96  0.0  0.57  1.0
  Cr  Cr1  1  0.0  0.0  0.95  1.0

data_SrLaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.4
_cell_length_c   6.19
_cell_angle_alpha   115.86
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaCr2
_chemical_formula_sum   'Sr1 La1 Cr2'
_cell_volume   110.34
_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  Sr0  1  0.9  0.9  0.9  1.0
  La  La1  1  0.95  0.99  0.95  1.0
  Cr  Cr2  1  0.05  0.05  0.05  1.0
  Cr  Cr3  1  0.39  0.43  0.39  1.0

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