data_MnBeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeRh2
_chemical_formula_sum   'Mn1 Be1 Rh2'
_cell_volume   47.03
_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  0.36  0.36  0.57  1.0
  Be  Be0  1  0.0  0.0  0.19  1.0
  Rh  Rh2  1  0.0  0.0  0.18  1.0
  Rh  Rh3  1  0.36  0.36  0.88  1.0

data_MnBeRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBeRh2
_chemical_formula_sum   'Mn2 Be2 Rh4'
_cell_volume   94.07
_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  0.36  0.0  0.57  1.0
  Be  Be1  2  0.0  0.0  0.19  1.0
  Rh  Rh2  2  0.0  0.0  0.18  1.0
  Rh  Rh3  2  0.36  0.0  0.88  1.0

Mn Be Rh Rh
Mn Be Rh Rh 0 3 o o o 1 2 o o o 1 3 o o - 1 3 o - - 1 3 - o - 2 3 o o - 2 3 o - - 2 3 - o - 3 3 + o o 3 3 o + o 