data_[Mg1Mn4Cu2O8]
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 [P1]
_cell_length_a [5.8195]
_cell_length_b [6.2179]
_cell_length_c [6.2343]
_cell_angle_alpha [61.9840]
_cell_angle_beta [66.6445]
_cell_angle_gamma [62.7077]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn4(CuO4)2]
_chemical_formula_sum '[Mg1 Mn4 Cu2 O8]'
_cell_volume [172.2061]
_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  0.1400  0.0791  0.5818  1
  Mn  Mn1  1  0.6101  0.1143  0.6366  1
  Mn  Mn2  1  0.6247  0.6065  0.6256  1
  Mn  Mn3  1  0.6432  0.6393  0.1188  1
  Mn  Mn4  1  0.9803  0.0213  0.0833  1
  Cu  Cu5  1  0.1166  0.6052  0.6284  1
  Cu  Cu6  1  0.3907  0.3146  0.1205  1
  O  O7  1  0.3603  0.3148  0.4211  1
  O  O8  1  0.3692  0.8100  0.4131  1
  O  O9  1  0.3744  0.8999  0.8538  1
  O  O10  1  0.4100  0.3707  0.8018  1
  O  O11  1  0.8208  0.8601  0.4579  1
  O  O12  1  0.8316  0.3298  0.4161  1
  O  O13  1  0.8527  0.9215  0.8680  1
  O  O14  1  0.8609  0.4151  0.8586  1
]