data_[Mg2As2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4198]
_cell_length_b [3.4433]
_cell_length_c [6.1476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgAsO]
_chemical_formula_sum '[Mg2 As2 O2]'
_cell_volume [113.8344]
_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
[
  Mg  Mg0  1  0.2668  0.5000  0.9574  1
  Mg  Mg1  1  0.7702  0.0000  0.1022  1
  As  As2  1  0.0388  0.5000  0.5367  1
  As  As3  1  0.2984  0.0000  0.4009  1
  O  O4  1  0.1440  0.0000  0.0912  1
  O  O5  1  0.6224  0.5000  0.0263  1
]