data_CrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   143.77
_cell_angle_beta   143.77
_cell_angle_gamma   52.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2
_chemical_formula_sum   'Cr1 In2'
_cell_volume   64.41
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.7  1.0
  In  In2  1  0.0  0.0  0.54  1.0

data_CrIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   116.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrIn2
_chemical_formula_sum   'Cr2 In4'
_cell_volume   128.82
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.04  0.5  0.54  1.0
  In  In2  2  0.2  0.5  0.7  1.0

Cr In In
Cr In In 0 1 o o - 1 2 o o o 