data_MnMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMoAs2
_chemical_formula_sum   'Mn1 Mo1 As2'
_cell_volume   70.33
_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  Mn2  1  0.0  0.0  0.49  1.0
  Mo  Mo3  1  0.74  0.0  0.53  1.0
  As  As0  1  0.0  0.0  0.54  1.0
  As  As1  1  0.74  0.0  0.28  1.0

data_MnMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMoAs2
_chemical_formula_sum   'Mn1 Mo1 As2'
_cell_volume   70.33
_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  0.49  1.0
  Mo  Mo1  1  0.74  0.0  0.53  1.0
  As  As2  1  0.0  0.0  0.54  1.0
  As  As3  1  0.74  0.0  0.28  1.0

Mn Mo As As
Mn Mo As As 0 2 o o o 0 1 - o o 0 3 - o o 1 2 + o o 1 3 o o o 2 3 - o o 