data_SrCr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.95
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   101.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Au
_chemical_formula_sum   'Sr1 Cr2 Au1'
_cell_volume   79.02
_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  0.95  0.0  0.4  1.0
  Cr  Cr1  1  0.65  0.0  0.41  1.0
  Cr  Cr2  1  0.13  0.97  0.96  1.0
  Au  Au0  1  0.49  0.97  0.49  1.0

data_SrCr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.95
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   101.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Au
_chemical_formula_sum   'Sr1 Cr2 Au1'
_cell_volume   79.02
_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  0.95  0.0  0.4  1.0
  Cr  Cr1  1  0.13  0.97  0.96  1.0
  Cr  Cr2  1  0.65  0.0  0.41  1.0
  Au  Au3  1  0.49  0.97  0.49  1.0

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