data_image0
_chemical_formula_structural       MnCl2
_chemical_formula_sum              "Mn1 Cl2"
_cell_length_a       3.910151978298736
_cell_length_b       3.910153290989608
_cell_length_c       18.40825468531916
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Mn  Mn1       1.0  0.0  6.759356521395472e-38  0.49999996237233824  1.0000
  Cl  Cl1       1.0  5.875216031297802e-19  0.5000000011521789  0.5742001156921053  1.0000
  Cl  Cl2       1.0  0.5000000002175445  2.7883367711089855e-19  0.42579976885321447  1.0000