data_SrTaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaCr2
_chemical_formula_sum   'Sr1 Ta1 Cr2'
_cell_volume   75.81
_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  0.44  1.0
  Ta  Ta3  1  1.0  0.0  0.45  1.0
  Cr  Cr0  1  0.0  0.0  0.19  1.0
  Cr  Cr1  1  1.0  0.0  0.04  1.0

data_SrTaCr2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.99
_cell_length_b   4.49
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   SrTaCr2
_chemical_formula_sum   'Sr2 Ta2 Cr4'
_cell_volume   151.62
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.56  1.0
  Ta  Ta1  2  0.0  0.0  0.55  1.0
  Cr  Cr2  2  0.0  0.0  0.81  1.0
  Cr  Cr3  2  0.0  0.0  0.96  1.0

Sr Ta Cr Cr
Sr Ta Cr Cr 0 1 - o o 2 3 - o o 