data_SrCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   18.94
_cell_angle_beta   18.94
_cell_angle_gamma   18.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrCu2
_chemical_formula_sum   'Sr1 Cr1 Cu2'
_cell_volume   69.55
_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  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.74  1.0
  Cu  Cu2  1  0.0  0.0  0.09  1.0

data_SrCrCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   3.0
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCrCu2
_chemical_formula_sum   'Sr2 Cr2 Cu4'
_cell_volume   139.11
_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  0.59  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.0  0.0  0.26  1.0
  Cu  Cu3  2  0.0  0.0  0.91  1.0

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