# generated using pymatgen
data_LiMnCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89279514
_cell_length_b   5.89279514
_cell_length_c   5.89279514
_cell_angle_alpha   121.36649412
_cell_angle_beta   120.46313375
_cell_angle_gamma   88.42449697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCuO4
_chemical_formula_sum   'Li2 Mn2 Cu2 O8'
_cell_volume   142.62277970
_cell_formula_units_Z   2
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
  Li  Li0  1  0.12930800  0.37930800  0.75000000  1
  Li  Li1  1  0.87069200  0.62069200  0.25000000  1
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn3  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu5  1  0.50000000  0.00000000  0.50000000  1
  O  O6  1  0.27210700  0.79503800  0.02293100  1
  O  O7  1  0.28151400  0.25084200  0.03067200  1
  O  O8  1  0.72017000  0.25084200  0.46932800  1
  O  O9  1  0.27210700  0.24917600  0.47706900  1
  O  O10  1  0.72789300  0.75082400  0.52293100  1
  O  O11  1  0.71848600  0.74915800  0.96932800  1
  O  O12  1  0.27983000  0.74915800  0.53067200  1
  O  O13  1  0.72789300  0.20496200  0.97706900  1
