data_MnAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Cl
_chemical_formula_sum   'Mn1 As2 Cl1'
_cell_volume   76.39
_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
  Mn  Mn3  1  0.0  0.0  0.77  1.0
  As  As0  1  0.14  0.0  0.2  1.0
  As  As1  1  0.14  0.0  0.35  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_MnAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Cl
_chemical_formula_sum   'Mn1 As2 Cl1'
_cell_volume   76.39
_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
  Mn  Mn0  1  0.0  0.0  0.77  1.0
  As  As1  1  0.14  0.0  0.2  1.0
  As  As2  1  0.14  0.0  0.35  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mn As As Cl
Mn As As Cl 0 3 o o + 1 2 o o o 1 3 o o o 