data_[Mg1Bi4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3438]
_cell_length_b [6.3763]
_cell_length_c [6.4950]
_cell_angle_alpha [109.9636]
_cell_angle_beta [112.2974]
_cell_angle_gamma [104.7862]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg(BiO2)4]
_chemical_formula_sum '[Mg1 Bi4 O8]'
_cell_volume [204.8926]
_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
[
  Mg  Mg0  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi1  2  0.2011  0.0045  0.2762  1.0
  Bi  Bi2  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.0000  1.0
  O  O4  2  0.0782  0.3083  0.7534  1.0
  O  O5  2  0.0972  0.8607  0.8600  1.0
  O  O6  2  0.4552  0.6601  0.7457  1.0
  O  O7  2  0.4948  0.8334  0.2354  1.0
]