data_[Mn2As4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7111]
_cell_length_b [3.1612]
_cell_length_c [4.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnAs2Ru]
_chemical_formula_sum '[Mn2 As4 Ru2]'
_cell_volume [121.9803]
_cell_formula_units_Z [2]
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  2  0.0152  0.5000  0.5759  1
  As  As1  2  0.0042  0.0000  0.0605  1
  As  As2  2  0.2469  0.0000  0.6558  1
  Ru  Ru3  2  0.2336  0.5000  0.2078  1
]