data_SrZrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   6.29
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   40.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrRe2
_chemical_formula_sum   'Sr1 Zr1 Re2'
_cell_volume   109.99
_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  0.0  1.0
  Zr  Zr3  1  0.27  0.0  0.07  1.0
  Re  Re0  1  0.61  0.0  0.8  1.0
  Re  Re1  1  0.92  0.0  0.34  1.0

data_SrZrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.26
_cell_length_c   6.29
_cell_angle_alpha   101.53
_cell_angle_beta   90.0
_cell_angle_gamma   110.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrRe2
_chemical_formula_sum   'Sr1 Zr1 Re2'
_cell_volume   109.99
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.73  0.93  1.0
  Re  Re2  1  0.0  0.08  0.66  1.0
  Re  Re3  1  0.0  0.39  0.2  1.0

Sr Zr Re Re
Sr Zr Re Re 0 1 o o o 0 2 - o - 0 3 - o o 1 3 - o o 