# generated using pymatgen
data_Mn4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49156169
_cell_length_b   2.49156169
_cell_length_c   31.05961702
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Cu
_chemical_formula_sum   'Mn12 Cu3'
_cell_volume   166.98213795
_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
  Mn  Mn0  1  0.66666700  0.33333300  0.92968000  1
  Mn  Mn1  1  0.33333300  0.66666700  0.86764300  1
  Mn  Mn2  1  0.00000000  0.00000000  0.79902300  1
  Mn  Mn3  1  0.66666700  0.33333300  0.73698600  1
  Mn  Mn4  1  0.33333300  0.66666700  0.26301400  1
  Mn  Mn5  1  0.00000000  0.00000000  0.20097700  1
  Mn  Mn6  1  0.66666700  0.33333300  0.13235700  1
  Mn  Mn7  1  0.33333300  0.66666700  0.07032000  1
  Mn  Mn8  1  0.00000000  0.00000000  0.59634700  1
  Mn  Mn9  1  0.66666700  0.33333300  0.53431000  1
  Mn  Mn10  1  0.33333300  0.66666700  0.46569000  1
  Mn  Mn11  1  0.00000000  0.00000000  0.40365300  1
  Cu  Cu12  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu13  1  0.66666700  0.33333300  0.33333300  1
  Cu  Cu14  1  0.33333300  0.66666700  0.66666700  1
