data_Cr2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgHg
_chemical_formula_sum   'Cr2 Ag1 Hg1'
_cell_volume   65.27
_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  Cr1  1  0.5  0.0  0.85  1.0
  Cr  Cr2  1  0.0  0.0  0.27  1.0
  Ag  Ag0  1  0.0  0.0  0.06  1.0
  Hg  Hg3  1  0.5  0.0  0.75  1.0

data_Cr2AgHg
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.81
_cell_length_b   9.17
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   115.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Cr2AgHg
_chemical_formula_sum   'Cr2 Ag1 Hg1'
_cell_volume   65.27
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.73  0.0  1.0
  Cr  Cr1  1  0.5  0.15  0.0  1.0
  Ag  Ag2  1  0.0  0.94  0.0  1.0
  Hg  Hg3  1  0.5  0.25  0.0  1.0

Cr Cr Ag Hg