data_[Mg1In2Ga2Cu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8944]
_cell_length_b [3.3706]
_cell_length_c [8.6839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgIn2Ga2CuO8]
_chemical_formula_sum '[Mg1 In2 Ga2 Cu1 O8]'
_cell_volume [167.8693]
_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  0.7158  0.5000  0.6425  1.0
  In  In1  1  0.5013  0.5000  0.0018  1.0
  In  In2  1  0.9992  0.0000  0.0010  1.0
  Ga  Ga3  1  0.2055  0.0000  0.6377  1.0
  Ga  Ga4  1  0.7886  0.0000  0.3581  1.0
  Cu  Cu5  1  0.2865  0.5000  0.3572  1.0
  O  O6  1  0.1173  0.0000  0.3901  1.0
  O  O7  1  0.2114  0.5000  0.1238  1.0
  O  O8  1  0.2924  0.0000  0.8689  1.0
  O  O9  1  0.3602  0.5000  0.6098  1.0
  O  O10  1  0.6457  0.5000  0.3862  1.0
  O  O11  1  0.7067  0.0000  0.1291  1.0
  O  O12  1  0.7898  0.5000  0.8804  1.0
  O  O13  1  0.8796  0.0000  0.6133  1.0
]