data_[Mg1Mn3Cu2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3559]
_cell_length_b [5.7154]
_cell_length_c [5.7586]
_cell_angle_alpha [118.6501]
_cell_angle_beta [95.5808]
_cell_angle_gamma [91.2707]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgMn3(CuO4)2]
_chemical_formula_sum '[Mg1 Mn3 Cu2 O8]'
_cell_volume [153.4819]
_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  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  2  0.0113  0.7628  0.0396  1.0
  Mn  Mn2  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.4735  0.2716  0.5526  1.0
  O  O4  2  0.1278  0.4167  0.7939  1.0
  O  O5  2  0.1540  0.8945  0.8110  1.0
  O  O6  2  0.3307  0.3834  0.2988  1.0
  O  O7  2  0.3714  0.9070  0.2654  1.0
]