data_Ca2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   6.15
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbBr
_chemical_formula_sum   'Ca2 Sb1 Br1'
_cell_volume   125.04
_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  Ca1  1  0.0  0.0  0.98  1.0
  Ca  Ca2  1  0.26  0.07  0.6  1.0
  Sb  Sb3  1  0.26  0.0  0.74  1.0
  Br  Br0  1  0.0  0.07  0.93  1.0

data_Ca2SbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.52
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbBr
_chemical_formula_sum   'Ca2 Sb1 Br1'
_cell_volume   125.04
_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  0.6  0.26  0.07  1.0
  Ca  Ca1  1  0.98  0.0  0.0  1.0
  Sb  Sb2  1  0.74  0.26  0.0  1.0
  Br  Br3  1  0.93  0.0  0.07  1.0

Ca Ca Sb Br
Ca Ca Sb Br 0 3 o o o 1 2 o o o 