data_MnBeZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   2.47
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   118.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeZn2
_chemical_formula_sum   'Mn1 Be1 Zn2'
_cell_volume   47.38
_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  0.46  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.83  0.94  0.17  1.0
  Zn  Zn3  1  0.83  0.06  0.17  1.0

data_MnBeZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.47
_cell_length_b   4.74
_cell_length_c   4.8
_cell_angle_alpha   116.52
_cell_angle_beta   99.64
_cell_angle_gamma   100.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeZn2
_chemical_formula_sum   'Mn1 Be1 Zn2'
_cell_volume   47.38
_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  0.0  0.46  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.1  0.94  0.77  1.0
  Zn  Zn3  1  0.23  0.06  0.89  1.0

Mn Be Zn Zn