data_Mn2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.12
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   91.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuSi
_chemical_formula_sum   'Mn2 Cu1 Si1'
_cell_volume   47.42
_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  Mn1  1  0.29  0.0  0.13  1.0
  Mn  Mn2  1  0.25  0.06  0.3  1.0
  Cu  Cu0  1  0.91  0.06  0.45  1.0
  Si  Si3  1  0.96  0.0  0.95  1.0

data_Mn2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.12
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   91.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuSi
_chemical_formula_sum   'Mn2 Cu1 Si1'
_cell_volume   47.42
_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  0.25  0.06  0.3  1.0
  Mn  Mn1  1  0.29  0.0  0.13  1.0
  Cu  Cu2  1  0.91  0.06  0.45  1.0
  Si  Si3  1  0.96  0.0  0.95  1.0

Mn Mn Cu Si