data_CrIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   4.75
_cell_angle_alpha   108.2
_cell_angle_beta   108.2
_cell_angle_gamma   23.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Hg
_chemical_formula_sum   'Cr1 In2 Hg1'
_cell_volume   89.21
_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  In2  1  0.05  0.0  0.84  1.0
  In  In3  1  0.16  0.0  0.67  1.0
  Hg  Hg1  1  0.1  0.0  0.25  1.0

data_CrIn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.75
_cell_length_c   7.01
_cell_angle_alpha   108.2
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Hg
_chemical_formula_sum   'Cr1 In2 Hg1'
_cell_volume   89.21
_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  0.67  0.16  1.0
  In  In2  1  0.0  0.84  0.05  1.0
  Hg  Hg3  1  0.0  0.25  0.1  1.0

Cr In In Hg
Cr In In Hg 0 1 o o - 0 3 o o o 1 2 o o o 