data_MnBe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   141.68
_cell_angle_beta   132.62
_cell_angle_gamma   62.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Hg
_chemical_formula_sum   'Mn1 Be2 Hg1'
_cell_volume   51.43
_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
  Mn  Mn3  1  0.0  0.0  0.98  1.0
  Be  Be0  1  0.0  0.95  0.01  1.0
  Be  Be1  1  0.0  0.0  0.37  1.0
  Hg  Hg2  1  0.0  0.95  0.07  1.0

data_MnBe2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.9
_cell_length_c   4.85
_cell_angle_alpha   113.69
_cell_angle_beta   109.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Hg
_chemical_formula_sum   'Mn1 Be2 Hg1'
_cell_volume   51.43
_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
  Mn  Mn0  1  0.0  0.98  0.98  1.0
  Be  Be1  1  0.0  0.37  0.37  1.0
  Be  Be2  1  0.05  0.06  0.06  1.0
  Hg  Hg3  1  0.05  0.13  0.13  1.0

Mn Be Be Hg