data_[Mn2As8Ru2]
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 [P2_1/c]
_cell_length_a [5.9354]
_cell_length_b [6.2701]
_cell_length_c [6.1900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnAs4Ru]
_chemical_formula_sum '[Mn2 As8 Ru2]'
_cell_volume [222.2515]
_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  0.0000  0.0000  0.0000  1
  As  As1  4  0.0916  0.1297  0.3964  1
  As  As2  4  0.4315  0.6354  0.3519  1
  Ru  Ru3  2  0.5000  0.0000  0.5000  1
]