data_MnBe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   2.31
_cell_angle_alpha   100.53
_cell_angle_beta   100.53
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Ni
_chemical_formula_sum   'Mn1 Be2 Ni1'
_cell_volume   37.49
_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  Mn2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.82  0.21  0.09  1.0
  Be  Be1  1  0.82  0.79  0.09  1.0
  Ni  Ni3  1  0.4  0.0  0.0  1.0

data_MnBe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.31
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   112.32
_cell_angle_beta   100.53
_cell_angle_gamma   100.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Ni
_chemical_formula_sum   'Mn1 Be2 Ni1'
_cell_volume   37.49
_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  0.0  1.0
  Be  Be1  1  0.09  0.82  0.21  1.0
  Be  Be2  1  0.09  0.82  0.79  1.0
  Ni  Ni3  1  -0.0  0.4  0.0  1.0

Mn Be Be Ni