data_MnBeZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   17.21
_cell_angle_beta   17.21
_cell_angle_gamma   17.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeZn2
_chemical_formula_sum   'Mn1 Be1 Zn2'
_cell_volume   49.42
_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  Mn1  1  0.0  0.0  0.21  1.0
  Be  Be0  1  0.0  0.0  0.91  1.0
  Zn  Zn2  1  0.0  0.0  0.42  1.0
  Zn  Zn3  1  0.0  0.0  0.35  1.0

data_MnBeZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   2.59
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBeZn2
_chemical_formula_sum   'Mn2 Be2 Zn4'
_cell_volume   98.83
_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
  Mn  Mn0  2  -0.0  0.0  0.79  1.0
  Be  Be1  2  0.0  0.0  0.09  1.0
  Zn  Zn2  2  0.0  0.0  0.65  1.0
  Zn  Zn3  2  0.0  0.0  0.58  1.0

Mn Be Zn Zn