data_[Y2Mg2Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7824]
_cell_length_b [9.7660]
_cell_length_c [2.8132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YMgMo2]
_chemical_formula_sum '[Y2 Mg2 Mo4]'
_cell_volume [152.8774]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Mo  Mo2  4  0.2500  0.2500  0.0000  1
]