# generated using pymatgen
data_BaMg(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46873892
_cell_length_b   6.21272741
_cell_length_c   6.21251377
_cell_angle_alpha   74.28273999
_cell_angle_beta   58.62605017
_cell_angle_gamma   58.62723223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg(FeS2)2
_chemical_formula_sum   'Ba1 Mg1 Fe2 S4'
_cell_volume   182.00127023
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.74994860  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.25005140  0.50000000  0.50000000  1.0
  S  S4  1  0.37643957  0.43048845  0.81663141  1.0
  S  S5  1  0.19301775  0.18343614  0.43052936  1.0
  S  S6  1  0.80698225  0.81656486  0.56947064  1.0
  S  S7  1  0.62356043  0.56951155  0.18336859  1.0