data_Sr2YCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   145.98
_cell_angle_beta   130.92
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YCr
_chemical_formula_sum   'Sr2 Y1 Cr1'
_cell_volume   140.64
_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  Sr1  1  0.03  0.0  0.57  1.0
  Sr  Sr2  1  0.0  0.89  0.41  1.0
  Y  Y3  1  0.0  0.0  0.99  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Sr2YCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.77
_cell_length_c   6.95
_cell_angle_alpha   114.54
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YCr
_chemical_formula_sum   'Sr2 Y1 Cr1'
_cell_volume   140.64
_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  0.0  0.57  0.54  1.0
  Sr  Sr1  1  0.11  0.53  0.53  1.0
  Y  Y2  1  0.0  0.99  0.99  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

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