data_CaMn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.1
_cell_angle_alpha   105.34
_cell_angle_beta   105.34
_cell_angle_gamma   40.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Au
_chemical_formula_sum   'Ca1 Mn2 Au1'
_cell_volume   77.69
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.3  0.0  0.97  1.0
  Mn  Mn3  1  0.54  0.0  0.92  1.0
  Au  Au0  1  0.92  0.0  0.45  1.0

data_CaMn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.95
_cell_length_c   5.1
_cell_angle_alpha   105.34
_cell_angle_beta   90.0
_cell_angle_gamma   110.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Au
_chemical_formula_sum   'Ca1 Mn2 Au1'
_cell_volume   77.69
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.46  0.08  1.0
  Mn  Mn2  1  0.0  0.7  0.03  1.0
  Au  Au3  1  0.0  0.08  0.55  1.0

Ca Mn Mn Au