data_MnRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.59
_cell_angle_alpha   108.51
_cell_angle_beta   108.51
_cell_angle_gamma   34.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRh2Se
_chemical_formula_sum   'Mn1 Rh2 Se1'
_cell_volume   56.42
_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  Mn0  1  0.69  0.0  0.92  1.0
  Rh  Rh1  1  0.12  0.0  0.18  1.0
  Rh  Rh2  1  0.02  0.0  0.13  1.0
  Se  Se3  1  0.52  0.0  0.27  1.0

data_MnRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.59
_cell_length_c   4.77
_cell_angle_alpha   108.51
_cell_angle_beta   107.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRh2Se
_chemical_formula_sum   'Mn1 Rh2 Se1'
_cell_volume   56.42
_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  Mn0  1  0.0  0.92  0.69  1.0
  Rh  Rh1  1  0.0  0.13  0.02  1.0
  Rh  Rh2  1  0.0  0.18  0.12  1.0
  Se  Se3  1  0.0  0.27  0.52  1.0

Mn Rh Rh Se
Mn Rh Rh Se 0 2 + o + 0 3 o o + 1 2 o o o 1 3 o o o 