data_Mg2AsRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.11
_cell_angle_alpha   102.24
_cell_angle_beta   102.24
_cell_angle_gamma   41.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AsRh
_chemical_formula_sum   'Mg2 As1 Rh1'
_cell_volume   69.63
_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
  Mg  Mg1  1  0.26  0.0  0.66  1.0
  Mg  Mg2  1  0.2  0.0  0.32  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.73  0.0  0.49  1.0

data_Mg2AsRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.6
_cell_length_c   5.11
_cell_angle_alpha   102.24
_cell_angle_beta   90.0
_cell_angle_gamma   110.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AsRh
_chemical_formula_sum   'Mg2 As1 Rh1'
_cell_volume   69.63
_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
  Mg  Mg0  1  0.0  0.74  0.34  1.0
  Mg  Mg1  1  0.0  0.8  0.68  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.27  0.51  1.0

Mg Mg As Rh
Mg Mg As Rh 0 1 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 - o - 