# generated using pymatgen
data_MnCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19595050
_cell_length_b   5.19595050
_cell_length_c   4.23995958
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu3
_chemical_formula_sum   'Mn2 Cu6'
_cell_volume   99.13393795
_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
  Mn  Mn0  1  0.66666700  0.33333300  0.25000000  1
  Mn  Mn1  1  0.33333300  0.66666700  0.75000000  1
  Cu  Cu2  1  0.83407300  0.66814600  0.75000000  1
  Cu  Cu3  1  0.83407300  0.16592700  0.75000000  1
  Cu  Cu4  1  0.16592700  0.33185400  0.25000000  1
  Cu  Cu5  1  0.66814600  0.83407300  0.25000000  1
  Cu  Cu6  1  0.16592700  0.83407300  0.25000000  1
  Cu  Cu7  1  0.33185400  0.16592700  0.75000000  1
