# generated using pymatgen
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05905117
_cell_length_b   6.05905117
_cell_length_c   14.78408500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuO4
_chemical_formula_sum   'Mn12 Cu6 O24'
_cell_volume   470.03950791
_cell_formula_units_Z   6
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
  Mn  Mn0  1  0.00000000  0.00000000  0.00229400  1.0
  Mn  Mn1  1  0.16769400  0.83230600  0.79159500  1.0
  Mn  Mn2  1  0.66461200  0.83230600  0.79159500  1.0
  Mn  Mn3  1  0.66666700  0.33333300  0.66946500  1.0
  Mn  Mn4  1  0.16769400  0.33538800  0.79159500  1.0
  Mn  Mn5  1  0.83463400  0.16536600  0.45790100  1.0
  Mn  Mn6  1  0.33073100  0.16536600  0.45790100  1.0
  Mn  Mn7  1  0.83463400  0.66926900  0.45790100  1.0
  Mn  Mn8  1  0.49972900  0.50027100  0.12616400  1.0
  Mn  Mn9  1  0.00054100  0.50027100  0.12616400  1.0
  Mn  Mn10  1  0.66666700  0.33333300  0.29268800  1.0
  Mn  Mn11  1  0.49972900  0.99945900  0.12616400  1.0
  Cu  Cu12  1  0.66666700  0.33333300  0.91548500  1.0
  Cu  Cu13  1  0.33333300  0.66666700  0.58038300  1.0
  Cu  Cu14  1  0.33333300  0.66666700  0.95810100  1.0
  Cu  Cu15  1  0.00000000  0.00000000  0.24976100  1.0
  Cu  Cu16  1  0.00000000  0.00000000  0.62367900  1.0
  Cu  Cu17  1  0.33333300  0.66666700  0.33359200  1.0
  O  O18  1  0.48547700  0.97095400  0.86597900  1.0
  O  O19  1  0.02904600  0.51452300  0.86597900  1.0
  O  O20  1  0.33333300  0.66666700  0.71404100  1.0
  O  O21  1  0.15280100  0.30560200  0.53240800  1.0
  O  O22  1  0.84935100  0.15064900  0.71704900  1.0
  O  O23  1  0.48547700  0.51452300  0.86597900  1.0
  O  O24  1  0.00000000  0.00000000  0.86601000  1.0
  O  O25  1  0.69439800  0.84719900  0.53240800  1.0
  O  O26  1  0.30129700  0.15064900  0.71704900  1.0
  O  O27  1  0.00000000  0.00000000  0.38319500  1.0
  O  O28  1  0.81718300  0.63436700  0.20314900  1.0
  O  O29  1  0.51563700  0.48436300  0.38025900  1.0
  O  O30  1  0.84935100  0.69870300  0.71704900  1.0
  O  O31  1  0.15280100  0.84719900  0.53240800  1.0
  O  O32  1  0.66666700  0.33333300  0.53055100  1.0
  O  O33  1  0.36563300  0.18281700  0.20314900  1.0
  O  O34  1  0.96872500  0.48436300  0.38025900  1.0
  O  O35  1  0.66666700  0.33333300  0.04960400  1.0
  O  O36  1  0.81718300  0.18281700  0.20314900  1.0
  O  O37  1  0.51563700  0.03127500  0.38025900  1.0
  O  O38  1  0.18180700  0.81819300  0.05201000  1.0
  O  O39  1  0.33333300  0.66666700  0.20161300  1.0
  O  O40  1  0.63638500  0.81819300  0.05201000  1.0
  O  O41  1  0.18180700  0.36361500  0.05201000  1.0