# generated using pymatgen
data_MgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09420474
_cell_length_b   5.09420474
_cell_length_c   5.09420494
_cell_angle_alpha   86.47286479
_cell_angle_beta   86.47286479
_cell_angle_gamma   86.47287403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs
_chemical_formula_sum   'Mg3 As3'
_cell_volume   131.47759358
_cell_formula_units_Z   3
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
  Mg  Mg0  1  0.13403000  0.86597000  0.50000000  1.0
  Mg  Mg1  1  0.50000000  0.13403000  0.86597000  1.0
  Mg  Mg2  1  0.86597000  0.50000000  0.13403000  1.0
  As  As3  1  0.00000000  0.00000000  0.00000000  1.0
  As  As4  1  0.36430900  0.36430900  0.36430900  1.0
  As  As5  1  0.63569100  0.63569100  0.63569100  1.0