# generated using pymatgen
data_Ca(MnAl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87151803
_cell_length_b   6.87151803
_cell_length_c   6.73705170
_cell_angle_alpha   82.01361782
_cell_angle_beta   82.01361782
_cell_angle_gamma   135.81408915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(MnAl3)3
_chemical_formula_sum   'Ca1 Mn3 Al9'
_cell_volume   206.03543983
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn3  1  0.50000000  0.00000000  0.00000000  1.0
  Al  Al4  1  0.28523600  0.51781000  0.22078700  1.0
  Al  Al5  1  0.71476400  0.48219000  0.77921300  1.0
  Al  Al6  1  0.48219000  0.71476400  0.77921300  1.0
  Al  Al7  1  0.51781000  0.28523600  0.22078700  1.0
  Al  Al8  1  0.34868900  0.99959900  0.66543500  1.0
  Al  Al9  1  0.65131100  0.00040100  0.33456500  1.0
  Al  Al10  1  0.00040100  0.65131100  0.33456500  1.0
  Al  Al11  1  0.99959900  0.34868900  0.66543500  1.0
  Al  Al12  1  0.00000000  0.00000000  0.50000000  1.0