# generated using pymatgen
data_Ca(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72131587
_cell_length_b   6.72131587
_cell_length_c   6.72131587
_cell_angle_alpha   98.54951266
_cell_angle_beta   98.54951266
_cell_angle_gamma   134.64177032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(MnAl2)4
_chemical_formula_sum   'Ca1 Mn4 Al8'
_cell_volume   199.34109551
_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  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn4  1  0.50000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.66663700  0.00000000  0.66663700  1.0
  Al  Al6  1  0.50000000  0.27158300  0.77158300  1.0
  Al  Al7  1  0.33336300  0.00000000  0.33336300  1.0
  Al  Al8  1  0.00000000  0.33336300  0.33336300  1.0
  Al  Al9  1  0.27158300  0.50000000  0.77158300  1.0
  Al  Al10  1  0.50000000  0.72841700  0.22841700  1.0
  Al  Al11  1  0.72841700  0.50000000  0.22841700  1.0
  Al  Al12  1  0.00000000  0.66663700  0.66663700  1.0