# generated using pymatgen
data_SmMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17951037
_cell_length_b   5.17951037
_cell_length_c   8.97106700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.12859401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMn2
_chemical_formula_sum   'Sm4 Mn8'
_cell_volume   217.89204316
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.66539100  0.33460900  0.56354300  1.0
  Sm  Sm1  1  0.33460900  0.66539100  0.43645700  1.0
  Sm  Sm2  1  0.33460900  0.66539100  0.06354300  1.0
  Sm  Sm3  1  0.66539100  0.33460900  0.93645700  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn6  1  0.15137000  0.33543200  0.75000000  1.0
  Mn  Mn7  1  0.15852800  0.84147200  0.75000000  1.0
  Mn  Mn8  1  0.66456800  0.84863000  0.75000000  1.0
  Mn  Mn9  1  0.84863000  0.66456800  0.25000000  1.0
  Mn  Mn10  1  0.84147200  0.15852800  0.25000000  1.0
  Mn  Mn11  1  0.33543200  0.15137000  0.25000000  1.0