data_Sr2ZrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   141.92
_cell_angle_beta   141.92
_cell_angle_gamma   54.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrBr
_chemical_formula_sum   'Sr2 Zr1 Br1'
_cell_volume   146.08
_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  0.38  0.0  0.23  1.0
  Sr  Sr2  1  0.0  0.0  0.46  1.0
  Zr  Zr3  1  0.0  0.38  0.23  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sr2ZrBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.29
_cell_angle_alpha   109.04
_cell_angle_beta   109.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrBr
_chemical_formula_sum   'Sr2 Zr1 Br1'
_cell_volume   146.08
_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  0.23  0.86  0.86  1.0
  Sr  Sr1  1  0.46  0.46  0.46  1.0
  Zr  Zr2  1  0.86  0.23  0.86  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Sr Zr Br