data_[Mg3Mn9Cu9O24]
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 [R3m]
_cell_length_a [6.1431]
_cell_length_b [6.1431]
_cell_length_c [20.6609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgMn3Cu3O8]
_chemical_formula_sum '[Mg3 Mn9 Cu9 O24]'
_cell_volume [675.2406]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3109  1
  Mn  Mn1  9  0.0011  0.5006  0.8662  1
  Cu  Cu2  3  0.0000  0.0000  0.4306  1
  Cu  Cu3  3  0.0000  0.0000  0.7943  1
  Cu  Cu4  3  0.0000  0.0000  0.9355  1
  O  O5  9  0.0128  0.5064  0.1387  1
  O  O6  9  0.1773  0.3546  0.9273  1
  O  O7  3  0.0000  0.0000  0.1586  1
  O  O8  3  0.0000  0.0000  0.5734  1
]