data_MnAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   146.38
_cell_angle_beta   129.7
_cell_angle_gamma   61.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsRu2
_chemical_formula_sum   'Mn1 As1 Ru2'
_cell_volume   54.4
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.33  1.0
  Ru  Ru2  1  0.0  0.15  0.94  1.0
  Ru  Ru3  1  0.46  0.0  0.4  1.0

data_MnAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.29
_cell_length_c   5.05
_cell_angle_alpha   115.15
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsRu2
_chemical_formula_sum   'Mn1 As1 Ru2'
_cell_volume   54.4
_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
  As  As1  1  0.67  0.67  0.67  1.0
  Ru  Ru2  1  0.06  0.6  0.06  1.0
  Ru  Ru3  1  0.06  0.21  0.21  1.0

Mn As Ru Ru
Mn As Ru Ru 0 2 o o - 0 1 o o o 0 3 o o o 1 3 o o o 2 3 - o o 