data_CaSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   5.43
_cell_angle_alpha   99.46
_cell_angle_beta   99.46
_cell_angle_gamma   30.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSbBr2
_chemical_formula_sum   'Ca1 Sb1 Br2'
_cell_volume   126.73
_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
  Ca  Ca2  1  0.94  0.0  0.4  1.0
  Sb  Sb3  1  0.74  0.0  0.86  1.0
  Br  Br0  1  0.33  0.0  0.22  1.0
  Br  Br1  1  0.33  0.0  0.9  1.0

data_CaSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.43
_cell_length_c   6.8
_cell_angle_alpha   99.46
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSbBr2
_chemical_formula_sum   'Ca1 Sb1 Br2'
_cell_volume   126.73
_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
  Ca  Ca0  1  0.0  0.4  0.94  1.0
  Sb  Sb1  1  0.0  0.86  0.74  1.0
  Br  Br2  1  0.0  0.22  0.33  1.0
  Br  Br3  1  0.0  0.9  0.33  1.0

Ca Sb Br Br