data_[Mn1In1Cu1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2158]
_cell_length_b [3.8191]
_cell_length_c [6.7934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnInCuS4]
_chemical_formula_sum '[Mn1 In1 Cu1 S4]'
_cell_volume [161.2647]
_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  0.9902  0.0000  0.8301  1
  In  In1  1  0.5146  0.0000  0.1656  1
  Cu  Cu2  1  0.4990  0.5000  0.6653  1
  S  S3  1  0.3588  0.0000  0.8148  1
  S  S4  1  0.3657  0.5000  0.3505  1
  S  S5  1  0.8593  0.5000  0.7026  1
  S  S6  1  0.9124  0.0000  0.1378  1
]