data_Ca2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   36.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2RhBr
_chemical_formula_sum   'Ca2 Rh1 Br1'
_cell_volume   96.95
_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  0.07  1.0
  Ca  Ca2  1  0.42  0.0  0.13  1.0
  Rh  Rh3  1  0.42  0.0  0.32  1.0
  Br  Br0  1  0.0  0.0  0.02  1.0

data_Ca2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.84
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2RhBr
_chemical_formula_sum   'Ca2 Rh1 Br1'
_cell_volume   96.95
_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  0.87  0.42  0.87  1.0
  Ca  Ca1  1  0.93  0.0  0.93  1.0
  Rh  Rh2  1  0.68  0.42  0.68  1.0
  Br  Br3  1  0.98  0.0  0.98  1.0

Ca Ca Rh Br