data_SrZr2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   7.21
_cell_angle_alpha   99.63
_cell_angle_beta   99.63
_cell_angle_gamma   41.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Cr
_chemical_formula_sum   'Sr1 Zr2 Cr1'
_cell_volume   110.69
_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  0.75  0.0  0.94  1.0
  Zr  Zr2  1  0.84  0.0  0.45  1.0
  Zr  Zr3  1  0.18  0.0  0.86  1.0
  Cr  Cr0  1  0.64  0.0  0.49  1.0

data_SrZr2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.84
_cell_length_c   7.21
_cell_angle_alpha   99.63
_cell_angle_beta   90.0
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Cr
_chemical_formula_sum   'Sr1 Zr2 Cr1'
_cell_volume   110.69
_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  0.25  0.06  1.0
  Zr  Zr1  1  0.0  0.16  0.55  1.0
  Zr  Zr2  1  0.0  0.82  0.14  1.0
  Cr  Cr3  1  0.0  0.36  0.51  1.0

Sr Zr Zr Cr
Sr Zr Zr Cr 0 2 o o o 0 2 + o o 1 3 o o o 