data_[Sr2Mg1Ru3O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7003]
_cell_length_b [5.8311]
_cell_length_c [6.7628]
_cell_angle_alpha [79.5050]
_cell_angle_beta [89.7720]
_cell_angle_gamma [73.1271]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2MgRu3O10]
_chemical_formula_sum '[Sr2 Mg1 Ru3 O10]'
_cell_volume [211.2264]
_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
[
  Sr  Sr0  1  0.4418  0.4041  0.7723  1.0
  Sr  Sr1  1  0.5472  0.6255  0.2258  1.0
  Mg  Mg2  1  0.0884  0.3739  0.1786  1.0
  Ru  Ru3  1  0.2167  0.0072  0.5150  1.0
  Ru  Ru4  1  0.7789  0.9861  0.4982  1.0
  Ru  Ru5  1  0.9909  0.9930  0.9965  1.0
  O  O6  1  0.0969  0.7226  0.5612  1.0
  O  O7  1  0.1911  0.6365  0.0283  1.0
  O  O8  1  0.2190  0.0654  0.7908  1.0
  O  O9  1  0.2404  0.0220  0.1991  1.0
  O  O10  1  0.4336  0.2352  0.4454  1.0
  O  O11  1  0.5548  0.7697  0.5515  1.0
  O  O12  1  0.7702  0.9993  0.7848  1.0
  O  O13  1  0.8010  0.9128  0.2240  1.0
  O  O14  1  0.8205  0.3412  0.0021  1.0
  O  O15  1  0.9099  0.2806  0.4363  1.0
]