data_InGe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   131.94
_cell_angle_beta   131.94
_cell_angle_gamma   70.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Br
_chemical_formula_sum   'In1 Ge2 Br1'
_cell_volume   95.13
_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
  In  In3  1  0.0  0.0  0.58  1.0
  Ge  Ge1  1  0.28  0.0  0.29  1.0
  Ge  Ge2  1  0.0  0.28  0.29  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_InGe2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   125.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGe2Br
_chemical_formula_sum   'In2 Ge4 Br2'
_cell_volume   190.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  2  0.0  0.0  0.58  1.0
  Ge  Ge1  4  0.36  0.36  0.01  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

In Ge Ge Br